data_1ug1_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 1ug1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' CD2' HD22 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLY . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.424 ' N ' ' OG1' ' A' ' 64' ' ' THR . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CE1' HD11 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 71' ' ' SER . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 68' ' ' VAL . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.488 ' CA ' HD11 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD11 ' CA ' ' A' ' 21' ' ' GLN . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 20' ' ' PHE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 68' ' ' VAL . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' HG21 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.47 ' CB ' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.674 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HD22 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.674 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.682 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' ASP . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 11' ' ' LEU . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 20' ' ' PHE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.682 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' HD13 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLY . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' HD22 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' SER . 77.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 76' ' ' TYR . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.594 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 11' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CA ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD12 ' CA ' ' A' ' 21' ' ' GLN . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' HD13 ' A' ' 59' ' ' ILE . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 56' ' ' ARG . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.499 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.475 HD13 ' CG1' ' A' ' 42' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 42' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 41' ' ' LEU . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' CD2' HG23 ' A' ' 44' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' HD23 ' A' ' 41' ' ' LEU . 11.5 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 76' ' ' TYR . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' CD2' ' A' ' 20' ' ' PHE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 14' ' ' TYR . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD12 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 41' ' ' LEU . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ASP . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 20' ' ' PHE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 49' ' ' ASP . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.679 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 40' ' ' ASP . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 76' ' ' TYR . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.5 pm0 -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.475 ' N ' HE21 ' A' ' 54' ' ' GLN . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD13 ' CG2' ' A' ' 68' ' ' VAL . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.496 ' CD1' HD13 ' A' ' 41' ' ' LEU . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' N ' ' OG1' ' A' ' 64' ' ' THR . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.464 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 10' ' ' LEU . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' OD2' ' A' ' 33' ' ' ASP . 3.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD2' ' NE2' ' A' ' 30' ' ' GLN . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' A' ' 21' ' ' GLN . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.486 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' VAL . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 40' ' ' ASP . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.483 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.495 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.502 ' ND2' ' CG2' ' A' ' 63' ' ' VAL . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' HG21 ' A' ' 63' ' ' VAL . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 41' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.481 ' CG ' HD21 ' A' ' 41' ' ' LEU . 12.0 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ASP . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 76' ' ' TYR . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 41' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 11' ' ' LEU . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.442 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.685 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' CG ' HD21 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' CD1' ' A' ' 76' ' ' TYR . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLY . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.465 ' ND2' ' CG2' ' A' ' 63' ' ' VAL . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' N ' ' OG1' ' A' ' 64' ' ' THR . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' HD22 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' N ' HD11 ' A' ' 10' ' ' LEU . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' C ' HD13 ' A' ' 41' ' ' LEU . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.678 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ASP . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' CD2' HD23 ' A' ' 11' ' ' LEU . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.678 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 10' ' ' LEU . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' ASP . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 76' ' ' TYR . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' CB ' HD11 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 HG13 ' CA ' ' A' ' 66' ' ' GLY . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ASP . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 21' ' ' GLN . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.499 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.404 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD1' ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 41' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' CG ' HD23 ' A' ' 41' ' ' LEU . 13.2 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CE2' ' CG1' ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 21' ' ' GLN . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.643 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.454 ' C ' ' CD1' ' A' ' 57' ' ' TRP . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG1' ' CE2' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.04 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -71.72 -53.96 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.09 -66.31 1.54 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -41.08 -62.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -40.87 -58.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' CD2' HD22 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLY . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.424 ' N ' ' OG1' ' A' ' 64' ' ' THR . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CE1' HD11 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.578 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 71' ' ' SER . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 68' ' ' VAL . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -158.96 87.6 2.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 2.03 7.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 141.3 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.17 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.22 91.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -174.73 63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.36 148.24 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -157.41 147.75 20.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.12 174.82 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 169.02 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.33 169.65 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.33 120.68 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 159.42 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -151.46 170.01 20.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.58 115.44 27.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -61.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.59 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -39.51 -46.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t -54.7 -55.41 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.513 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.573 ' CE1' HG21 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.488 ' CA ' HD11 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD11 ' CA ' ' A' ' 21' ' ' GLN . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 20' ' ' PHE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 68' ' ' VAL . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.503 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -164.24 98.77 0.91 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 86.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -96.58 82.29 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.51 70.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' O ' ' ND1' ' A' ' 82' ' ' HIS . 41.3 t-80 -164.18 48.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -168.95 171.7 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -134.84 92.42 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.13 165.15 13.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -169.34 109.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.85 -59.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.92 85.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.09 15.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 -59.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -170.76 159.76 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 p -162.87 91.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -80.83 -55.89 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.92 -58.56 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -42.35 -63.5 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.994 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m -42.09 -57.51 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' HG21 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.47 ' CB ' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.674 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' CE1' HD22 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.674 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -167.69 92.56 0.67 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.78 7.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 85.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -168.2 -61.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.07 171.38 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -95.3 158.46 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.4 p -130.4 168.24 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -144.71 -54.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.81 -58.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.89 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.32 114.28 0.73 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.24 4.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.9 p -171.42 148.46 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.67 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.58 103.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -56.84 -48.47 77.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.24 -60.02 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -39.49 -62.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -60.81 -57.23 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HB3' ' CG ' ' A' ' 78' ' ' PRO . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.682 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 40' ' ' ASP . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD2' HD22 ' A' ' 11' ' ' LEU . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 20' ' ' PHE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 HD12 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.682 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -169.21 93.44 0.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.462 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.1 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 1.3 ttm180 56.28 -93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' ARG . 14.2 ttm180 -77.18 106.26 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.96 105.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -106.63 121.08 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.2 p -171.81 75.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -176.22 145.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.03 163.0 12.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.71 97.47 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 m -120.37 114.41 21.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.33 171.71 20.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 t -130.95 -58.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.63 161.11 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -97.4 139.92 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.92 -29.28 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -60.05 1.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' SER . 50.4 m -48.54 -59.57 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -43.76 -57.41 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD11 ' CD2' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.467 ' CB ' HD13 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD22 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD13 ' CB ' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLY . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.409 ' CB ' HD22 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD2' ' HD3' ' A' ' 78' ' ' PRO . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 -172.95 91.87 0.38 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 1.48 7.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -38.7 128.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' HIS . 0.5 OUTLIER -138.7 -63.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 82' ' ' HIS . 0.1 OUTLIER -40.02 158.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 52.44 83.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.09 159.46 43.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.94 84.33 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -163.24 167.16 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -176.6 104.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.09 155.37 6.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.95 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -135.37 158.67 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -173.25 -59.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.57 114.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -95.7 -58.1 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -54.77 32.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -44.92 -45.28 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' SER . 77.3 p -70.18 -42.83 71.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HB3' ' CG ' ' A' ' 78' ' ' PRO . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD21 ' CD1' ' A' ' 76' ' ' TYR . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.475 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.463 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.594 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.581 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -169.7 97.73 0.48 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.98 1.84 7.28 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.93 110.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.38 135.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m 53.55 78.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -174.84 70.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.552 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 169.45 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.24 156.9 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.81 153.07 52.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.1 m -106.4 160.11 15.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.3 144.84 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.11 157.29 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 167.99 14.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -53.69 164.74 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.52 83.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.743 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -81.01 -61.05 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.6 62.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -40.56 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p -65.74 -38.53 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CD2' HD13 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' CD2' ' A' ' 11' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' CA ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD12 ' CA ' ' A' ' 21' ' ' GLN . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG1' HD13 ' A' ' 59' ' ' ILE . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLY . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 56' ' ' ARG . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.499 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.475 HD13 ' CG1' ' A' ' 42' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.421 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.582 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD22 ' CG2' ' A' ' 42' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 41' ' ' LEU . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -166.58 91.88 0.78 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.7 7.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 63.07 116.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 66.83 106.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.5 p -105.68 150.35 25.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -84.13 162.46 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.559 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -53.55 147.42 11.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -136.09 133.39 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.54 127.37 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -49.9 166.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -156.92 116.33 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.34 95.05 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.87 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.37 112.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.0 m -79.38 -58.15 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -140.0 -55.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -61.85 -60.24 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 -61.87 6.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.39 -48.45 5.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.732 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m -52.34 -55.81 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' CD2' HG23 ' A' ' 44' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.474 ' CG ' HD23 ' A' ' 41' ' ' LEU . 11.5 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CA ' ' HB1' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 76' ' ' TYR . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 HG23 ' CD2' ' A' ' 20' ' ' PHE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.511 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.511 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 14' ' ' TYR . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CE1' HD12 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.654 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.5 88.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 126.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 55.24 166.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.81 131.64 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -95.01 178.6 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -61.02 112.5 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -106.77 117.08 33.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.88 170.61 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 m 61.96 153.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.7 p -171.45 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.8 145.85 8.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.45 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.423 1.749 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.16 140.12 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -63.05 161.29 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -145.59 109.81 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -95.39 -49.01 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.72 -58.82 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -43.99 -33.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -70.48 -50.23 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.459 ' O ' HD13 ' A' ' 41' ' ' LEU . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD21 ' CB ' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ASP . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 20' ' ' PHE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' CB ' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 49' ' ' ASP . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.679 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD11 ' CG2' ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -167.77 92.23 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.8 7.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 60.76 87.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.8 127.72 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -112.22 151.13 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -137.86 -60.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.9 m 63.32 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.65 138.32 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.6 128.99 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -175.5 145.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 t -171.7 136.61 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.52 148.88 14.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.11 18.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -159.29 140.69 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.88 168.38 19.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -121.98 115.21 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 p -50.35 -54.26 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 -57.45 4.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.544 1.152 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -48.45 -57.14 6.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -49.25 -55.18 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD13 ' CD2' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.466 ' CB ' HD11 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 40' ' ' ASP . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' CD1' ' A' ' 76' ' ' TYR . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.475 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.5 pm0 -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' N ' HE21 ' A' ' 54' ' ' GLN . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.466 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD13 ' CG2' ' A' ' 68' ' ' VAL . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.496 ' CD1' HD13 ' A' ' 41' ' ' LEU . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -167.13 92.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 1.78 7.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.3 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' PRO . 1.5 ttt85 71.44 83.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -85.88 -59.18 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 64.13 79.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.71 171.03 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.0 129.77 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.94 175.28 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 t -174.92 159.17 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 p -179.54 166.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.41 82.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.28 33.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -178.82 164.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 161.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.22 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -47.78 -57.38 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.95 16.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -40.02 -57.68 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -47.8 -45.7 29.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' O ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' N ' ' OG1' ' A' ' 64' ' ' THR . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.464 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' NZ ' ' OE1' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -162.02 99.05 1.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.13 6.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -54.37 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.19 169.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.3 t -100.57 97.18 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -151.78 164.43 37.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.1 p -88.55 156.73 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -164.89 168.29 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.62 174.54 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.1 t -167.42 -57.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -39.58 -61.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.46 -166.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -155.42 -53.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 m 61.85 148.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -75.68 164.35 26.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -82.29 -59.9 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -64.06 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.51 -47.35 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 0.806 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -61.05 -57.78 11.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 10' ' ' LEU . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.646 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' OD2' ' A' ' 33' ' ' ASP . 3.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD2' ' NE2' ' A' ' 30' ' ' GLN . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' A' ' 21' ' ' GLN . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.486 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.523 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 63' ' ' VAL . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.646 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.38 84.57 2.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 1.91 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -39.9 106.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -115.7 170.43 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -60.09 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -49.31 129.49 18.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 p -98.49 136.36 38.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -173.6 127.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -164.86 158.73 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.39 153.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.8 p -145.33 155.49 43.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.82 98.58 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.98 6.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.87 154.02 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.44 169.53 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.57 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.57 -53.17 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -49.36 -51.41 34.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -50.96 -59.41 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG3' ' CD1' ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 40' ' ' ASP . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD2' ' CD2' ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.483 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.495 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.502 ' ND2' ' CG2' ' A' ' 63' ' ' VAL . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' HG21 ' A' ' 63' ' ' VAL . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.573 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 -169.32 90.84 0.57 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 1.48 7.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 108.73 11.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 ttm105 -136.92 -54.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.61 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.1 117.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.654 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 -57.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.79 117.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.99 146.92 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m 55.28 169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 -57.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.43 80.58 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -53.77 123.72 13.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 t -119.83 168.64 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.11 89.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -95.98 -59.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -55.93 22.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 t -41.8 -50.15 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p -63.38 -46.93 84.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 41' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.481 ' CG ' HD21 ' A' ' 41' ' ' LEU . 12.0 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' ASP . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 76' ' ' TYR . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.617 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.463 HD11 ' CG2' ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.576 ' CD1' HD22 ' A' ' 41' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -163.35 99.86 1.0 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.28 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -46.53 102.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.3 -57.13 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -40.36 -57.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.19 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.63 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 p -50.97 -57.61 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.87 93.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.85 -60.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 103.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -130.33 137.65 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.09 123.96 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 146.01 31.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.433 1.754 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.0 p -134.43 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.71 -58.53 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -125.96 105.34 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -94.88 -70.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.46 -48.29 60.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p -62.99 -35.08 78.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' CD1' ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' ASP . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 11' ' ' LEU . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.442 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.507 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.429 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.685 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -167.29 94.54 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.78 7.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -43.57 144.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.59 126.27 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.76 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.4 137.75 2.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 m -139.75 140.64 36.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.29 145.22 21.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.01 -61.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.4 p -179.22 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 t 59.91 92.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.75 117.76 0.73 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.51 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.42 166.22 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.34 165.51 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 -59.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -54.61 -59.47 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.98 -57.63 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -57.19 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -54.89 -46.33 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' CG ' HD21 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 38' ' ' GLU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CE2' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD22 ' CD1' ' A' ' 76' ' ' TYR . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLY . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 HD11 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' CB ' HD13 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' ND2' ' CG2' ' A' ' 63' ' ' VAL . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' N ' ' OG1' ' A' ' 64' ' ' THR . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' CE1' HD11 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.603 ' CD1' HD22 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -168.47 96.78 0.56 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.97 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 51.0 89.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.24 157.38 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.6 m -75.53 103.8 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -129.71 -62.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 96.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -146.47 128.77 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.75 172.02 13.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.61 157.87 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.4 t -142.33 164.6 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.62 66.89 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.98 163.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 m 62.53 116.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.54 -57.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -69.68 -55.88 8.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.09 -68.53 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.33 -56.17 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -50.17 -42.4 51.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' N ' HD11 ' A' ' 10' ' ' LEU . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' C ' HD13 ' A' ' 41' ' ' LEU . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 22' ' ' ALA . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 21' ' ' GLN . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.678 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' ASP . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' CD2' HD23 ' A' ' 11' ' ' LEU . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HB2' ' CD1' ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.678 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 94.82 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.99 91.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.51 114.67 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -90.66 139.4 30.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -138.33 132.97 32.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 p -68.74 122.15 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -167.19 128.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.86 152.27 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.96 -42.94 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 p 58.57 -174.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.49 154.67 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t 69.81 161.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 p 59.49 165.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.76 155.72 26.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -93.0 -61.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.08 -57.99 16.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -45.01 -62.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.997 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' SER . 3.6 p -45.65 -43.57 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 10' ' ' LEU . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.478 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CZ ' ' CG1' ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' ASP . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD21 ' CD1' ' A' ' 76' ' ' TYR . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.636 ' CG1' ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.591 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -165.14 94.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.9 7.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -78.94 77.96 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.47 51.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.78 77.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 t60 52.61 175.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -116.57 104.32 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -179.91 159.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.09 176.65 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 p -115.49 -59.44 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.57 171.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.9 172.33 15.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -167.45 152.08 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 p -167.65 -61.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -86.16 123.36 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 -66.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -71.48 -50.75 19.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -38.7 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -42.58 91.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' CB ' HD11 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 HG13 ' CA ' ' A' ' 66' ' ' GLY . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' ASP . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 21' ' ' GLN . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.499 ' HA ' ' CG2' ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' N ' ' OG1' ' A' ' 64' ' ' THR . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.404 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 HG13 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -166.87 90.9 0.75 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.72 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -64.09 -11.65 31.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.75 145.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.96 128.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -48.17 121.88 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 p -156.7 138.25 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -173.27 122.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.68 96.86 3.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.222 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.47 87.34 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.946 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.8 p -172.65 129.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.39 70.9 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.86 32.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.8 p -112.6 119.07 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.89 144.37 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -145.61 159.76 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -51.81 -57.61 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -65.1 1.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -46.16 -45.54 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t -61.41 -52.46 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' CD1' ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 7' ' ' GLY . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HB3' ' CG ' ' A' ' 78' ' ' PRO . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 ' CD2' HD11 ' A' ' 41' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' CG ' HD23 ' A' ' 41' ' ' LEU . 13.2 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CE2' ' CG1' ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 21' ' ' GLN . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.643 ' CG2' ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.454 ' C ' ' CD1' ' A' ' 57' ' ' TRP . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' ' C ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' CD1' ' HB ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.585 ' CG1' ' CE2' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD12 ' CG2' ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 -149.87 104.1 3.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.05 3.72 5.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.55 92.73 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -167.91 33.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -161.51 172.98 15.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -81.6 129.04 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 p -47.68 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 61.9 122.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.79 173.68 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.03 152.28 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -169.93 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.61 -64.54 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.3 38.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 92' ' ' GLY . 22.9 p -136.94 127.03 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 m 69.41 -63.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.934 ' HA ' HD11 ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.072 HD22 HD21 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.099 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB3' ' A' ' 61' ' ' ASN . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.072 HD21 HD22 ' A' ' 19' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.68 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HE3' HG11 ' A' ' 44' ' ' VAL . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.888 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 58' ' ' LEU . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.768 ' CE1' HD13 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.099 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' PHE . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.82 ' O ' HD21 ' A' ' 19' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 10' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.621 ' CD1' HG23 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.662 ' CB ' HD12 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.017 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 61' ' ' ASN . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD22 HD21 ' A' ' 11' ' ' LEU . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.673 ' HA ' HG22 ' A' ' 59' ' ' ILE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.68 HD11 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 65' ' ' LYS . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.894 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 58' ' ' LEU . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.017 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.819 ' HG3' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.207 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HD23 ' A' ' 36' ' ' LEU . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' SER . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HB ' HD13 ' A' ' 59' ' ' ILE . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.943 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HA ' HG12 ' A' ' 42' ' ' VAL . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.659 ' CD1' HD23 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.207 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 HG23 ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 42' ' ' VAL . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.871 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CD1' HG23 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.204 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 10' ' ' LEU . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.853 HD11 ' HB2' ' A' ' 60' ' ' ASP . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.765 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 65' ' ' LYS . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 58' ' ' LEU . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 58' ' ' LEU . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.204 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.822 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.917 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD11 ' HA ' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.83 ' HG3' HD12 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.083 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD21 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 36' ' ' LEU . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 59' ' ' ILE . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD11 ' OD2' ' A' ' 60' ' ' ASP . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.585 ' CB ' HD21 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' C ' ' A' ' 62' ' ' GLY . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 58' ' ' LEU . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.083 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 77.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.04 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 19' ' ' LEU . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 60' ' ' ASP . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 67' ' ' PHE . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.665 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.04 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.041 HD22 HD21 ' A' ' 41' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.735 ' CB ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.139 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' HA3' ' A' ' 66' ' ' GLY . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 59' ' ' ILE . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.041 HD21 HD22 ' A' ' 19' ' ' LEU . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.885 ' HA ' HG22 ' A' ' 59' ' ' ILE . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.963 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.788 ' HA ' HG12 ' A' ' 42' ' ' VAL . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.968 ' CG ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.63 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.139 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 HG23 ' A' ' 68' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.509 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.625 HD22 ' OD2' ' A' ' 60' ' ' ASP . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.916 ' HA ' HD11 ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' CG ' HD23 ' A' ' 41' ' ' LEU . 5.0 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.144 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 61' ' ' ASN . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD11 HD22 ' A' ' 19' ' ' LEU . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.706 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 60' ' ' ASP . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.544 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.795 HD13 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.757 ' HB3' HD11 ' A' ' 45' ' ' ILE . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.547 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 62' ' ' GLY . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.735 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.795 ' CE1' HD13 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.144 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 10' ' ' LEU . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.77 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.77 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 44' ' ' VAL . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.163 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG13 ' HA3' ' A' ' 66' ' ' GLY . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 36' ' ' LEU . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.691 HD23 HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 59' ' ' ILE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 65' ' ' LYS . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.832 ' HB2' HD11 ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.664 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HE3' HD13 ' A' ' 45' ' ' ILE . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.163 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' HA2' ' A' ' 7' ' ' GLY . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.972 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.972 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.693 ' CB ' HD12 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 61' ' ' ASN . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 38' ' ' GLU . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.924 HD21 HD22 ' A' ' 19' ' ' LEU . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.847 HD11 ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.756 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.847 ' HB2' HD11 ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.694 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HB3' HD11 ' A' ' 58' ' ' LEU . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' PRO . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.846 ' HA ' HD12 ' A' ' 41' ' ' LEU . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.602 ' OD1' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.042 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 61' ' ' ASN . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' OD1' ' A' ' 25' ' ' ASN . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 65' ' ' LYS . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.757 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' HD11 ' A' ' 45' ' ' ILE . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.515 ' HB3' HD21 ' A' ' 36' ' ' LEU . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.823 ' HB3' HD11 ' A' ' 58' ' ' LEU . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.042 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD11 HG23 ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.591 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 6' ' ' SER . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.943 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.692 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.008 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 61' ' ' ASN . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 19' ' ' LEU . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 61' ' ' ASN . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.941 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.941 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' THR . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.77 ' HB3' HD21 ' A' ' 36' ' ' LEU . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ASP . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.008 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.971 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.016 HD22 HD21 ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.867 ' HG3' HD12 ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.078 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 61' ' ' ASN . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.016 HD21 HD22 ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.704 ' HB ' HD13 ' A' ' 59' ' ' ILE . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.808 ' HA ' HG22 ' A' ' 59' ' ' ILE . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HE3' HG11 ' A' ' 44' ' ' VAL . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 65' ' ' LYS . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.808 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.784 ' HB3' HD21 ' A' ' 36' ' ' LEU . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.994 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.801 ' CE1' HD23 ' A' ' 58' ' ' LEU . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.078 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA2' ' A' ' 7' ' ' GLY . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.784 ' HA ' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' HD23 ' A' ' 41' ' ' LEU . 5.4 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.113 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.752 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 60' ' ' ASP . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD23 ' CE1' ' A' ' 67' ' ' PHE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.531 ' HB2' HD11 ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' HD21 ' A' ' 36' ' ' LEU . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD22 ' A' ' 58' ' ' LEU . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' HD23 ' A' ' 58' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.113 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 HG23 ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.601 ' CE2' HD21 ' A' ' 11' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 41' ' ' LEU . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.148 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.546 ' O ' HD23 ' A' ' 36' ' ' LEU . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 35' ' ' SER . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 60' ' ' ASP . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' HG11 ' A' ' 44' ' ' VAL . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.816 HD13 ' CE1' ' A' ' 67' ' ' PHE . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.776 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' HB3' HD21 ' A' ' 36' ' ' LEU . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 58' ' ' LEU . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CE1' HD13 ' A' ' 58' ' ' LEU . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.148 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 6' ' ' SER . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.877 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.877 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.625 ' O ' HG22 ' A' ' 42' ' ' VAL . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.98 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 19' ' ' LEU . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.767 HG22 ' HD3' ' A' ' 46' ' ' LYS . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD13 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.718 ' HB3' HD21 ' A' ' 36' ' ' LEU . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 58' ' ' LEU . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.679 ' CE1' HD13 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.98 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' CD1' HD21 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 6' ' ' SER . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' HG23 ' A' ' 44' ' ' VAL . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.802 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.058 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 36' ' ' LEU . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 35' ' ' SER . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' A' ' 59' ' ' ILE . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.764 ' HA ' HG22 ' A' ' 59' ' ' ILE . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.789 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 65' ' ' LYS . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 58' ' ' LEU . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.058 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.52 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 6' ' ' SER . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.14 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CA ' ' A' ' 66' ' ' GLY . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 59' ' ' ILE . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ALA . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.739 ' N ' HD13 ' A' ' 41' ' ' LEU . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.668 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 63' ' ' VAL . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' ASN . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.14 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.513 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD12 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.039 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 61' ' ' ASN . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.734 HD21 HD22 ' A' ' 19' ' ' LEU . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 59' ' ' ILE . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.93 ' HA ' HG22 ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.689 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.93 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.039 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 11' ' ' LEU . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.888 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CD2' HG23 ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 59' ' ' ILE . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.823 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.575 ' HE3' HG11 ' A' ' 44' ' ' VAL . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 58' ' ' LEU . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.001 HD11 HG23 ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.04 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -71.72 -53.96 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.09 -66.31 1.54 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -41.08 -62.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -40.87 -58.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.934 ' HA ' HD11 ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.072 HD22 HD21 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.099 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB3' ' A' ' 61' ' ' ASN . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.072 HD21 HD22 ' A' ' 19' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.68 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HE3' HG11 ' A' ' 44' ' ' VAL . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.888 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 58' ' ' LEU . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.768 ' CE1' HD13 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.099 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' PHE . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -158.96 87.6 2.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 82' ' ' HIS . 18.1 Cg_endo -75.02 2.03 7.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 141.3 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.17 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.22 91.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -174.73 63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.36 148.24 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -157.41 147.75 20.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.12 174.82 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 169.02 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.33 169.65 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.33 120.68 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 159.42 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -151.46 170.01 20.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.58 115.44 27.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -61.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.59 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -39.51 -46.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t -54.7 -55.41 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.82 ' O ' HD21 ' A' ' 19' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 10' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.621 ' CD1' HG23 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.662 ' CB ' HD12 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.017 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 61' ' ' ASN . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD22 HD21 ' A' ' 11' ' ' LEU . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.673 ' HA ' HG22 ' A' ' 59' ' ' ILE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.68 HD11 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 65' ' ' LYS . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.894 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 58' ' ' LEU . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.017 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -164.24 98.77 0.91 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 86.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -96.58 82.29 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.51 70.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' O ' ' ND1' ' A' ' 82' ' ' HIS . 41.3 t-80 -164.18 48.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -168.95 171.7 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -134.84 92.42 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.13 165.15 13.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -169.34 109.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.85 -59.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.92 85.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.09 15.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 -59.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -170.76 159.76 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 p -162.87 91.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -80.83 -55.89 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.92 -58.56 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -42.35 -63.5 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.994 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m -42.09 -57.51 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.819 ' HG3' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.207 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HD23 ' A' ' 36' ' ' LEU . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' SER . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HB ' HD13 ' A' ' 59' ' ' ILE . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.943 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HA ' HG12 ' A' ' 42' ' ' VAL . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.659 ' CD1' HD23 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.207 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 HG23 ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -167.69 92.56 0.67 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.78 7.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 85.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -168.2 -61.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.07 171.38 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -95.3 158.46 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.4 p -130.4 168.24 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -144.71 -54.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.81 -58.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.89 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.32 114.28 0.73 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.24 4.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.9 p -171.42 148.46 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.67 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.58 103.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -56.84 -48.47 77.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.24 -60.02 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -39.49 -62.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -60.81 -57.23 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 42' ' ' VAL . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.871 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HB3' ' CG ' ' A' ' 78' ' ' PRO . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CD1' HG23 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.204 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 10' ' ' LEU . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.853 HD11 ' HB2' ' A' ' 60' ' ' ASP . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.765 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 65' ' ' LYS . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 58' ' ' LEU . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 58' ' ' LEU . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.204 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -169.21 93.44 0.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.462 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.1 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 1.3 ttm180 56.28 -93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' ARG . 14.2 ttm180 -77.18 106.26 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.96 105.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -106.63 121.08 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.2 p -171.81 75.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -176.22 145.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.03 163.0 12.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.71 97.47 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 m -120.37 114.41 21.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.33 171.71 20.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 t -130.95 -58.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.63 161.11 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -97.4 139.92 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.92 -29.28 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -60.05 1.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' SER . 50.4 m -48.54 -59.57 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -43.76 -57.41 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.917 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD11 ' HA ' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.83 ' HG3' HD12 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.083 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD21 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 36' ' ' LEU . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 59' ' ' ILE . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD11 ' OD2' ' A' ' 60' ' ' ASP . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.585 ' CB ' HD21 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' C ' ' A' ' 62' ' ' GLY . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 58' ' ' LEU . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.083 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 78' ' ' PRO . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 -172.95 91.87 0.38 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 1.48 7.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -38.7 128.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' HIS . 0.5 OUTLIER -138.7 -63.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 81' ' ' SER . 0.0 OUTLIER -40.02 158.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 52.44 83.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.09 159.46 43.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.94 84.33 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -163.24 167.16 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -176.6 104.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.09 155.37 6.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.95 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -135.37 158.67 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -173.25 -59.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.57 114.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -95.7 -58.1 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -54.77 32.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -44.92 -45.28 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 77.3 p -70.18 -42.83 71.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.04 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 19' ' ' LEU . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 60' ' ' ASP . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 67' ' ' PHE . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.665 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.04 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -169.7 97.73 0.48 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.98 1.84 7.28 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.93 110.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.38 135.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m 53.55 78.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -174.84 70.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.552 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 169.45 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.24 156.9 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.81 153.07 52.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.1 m -106.4 160.11 15.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.3 144.84 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.11 157.29 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 167.99 14.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -53.69 164.74 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.52 83.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.743 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -81.01 -61.05 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.6 62.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -40.56 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p -65.74 -38.53 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.041 HD22 HD21 ' A' ' 41' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.735 ' CB ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.139 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' HA3' ' A' ' 66' ' ' GLY . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 59' ' ' ILE . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.041 HD21 HD22 ' A' ' 19' ' ' LEU . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.885 ' HA ' HG22 ' A' ' 59' ' ' ILE . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.963 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.788 ' HA ' HG12 ' A' ' 42' ' ' VAL . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.968 ' CG ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.63 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.139 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 HG23 ' A' ' 68' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -166.58 91.88 0.78 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.7 7.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 63.07 116.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 66.83 106.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.5 p -105.68 150.35 25.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -84.13 162.46 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.559 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -53.55 147.42 11.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -136.09 133.39 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.54 127.37 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -49.9 166.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -156.92 116.33 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.34 95.05 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.87 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.37 112.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.0 m -79.38 -58.15 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -140.0 -55.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -61.85 -60.24 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 -61.87 6.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.39 -48.45 5.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.732 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m -52.34 -55.81 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.625 HD22 ' OD2' ' A' ' 60' ' ' ASP . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.916 ' HA ' HD11 ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' CG ' HD23 ' A' ' 41' ' ' LEU . 5.0 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.144 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 61' ' ' ASN . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD11 HD22 ' A' ' 19' ' ' LEU . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.706 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 60' ' ' ASP . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.544 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.795 HD13 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.757 ' HB3' HD11 ' A' ' 45' ' ' ILE . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.547 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 62' ' ' GLY . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.735 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.795 ' CE1' HD13 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.144 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.5 88.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 126.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 55.24 166.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.81 131.64 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -95.01 178.6 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -61.02 112.5 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -106.77 117.08 33.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.88 170.61 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 m 61.96 153.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.7 p -171.45 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.8 145.85 8.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.45 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.423 1.749 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.16 140.12 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -63.05 161.29 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -145.59 109.81 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -95.39 -49.01 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.72 -58.82 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -43.99 -33.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -70.48 -50.23 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 10' ' ' LEU . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.77 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.77 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 44' ' ' VAL . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.163 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG13 ' HA3' ' A' ' 66' ' ' GLY . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 36' ' ' LEU . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD23 HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 59' ' ' ILE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 65' ' ' LYS . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.832 ' HB2' HD11 ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.664 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HE3' HD13 ' A' ' 45' ' ' ILE . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.163 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -167.77 92.23 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.8 7.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 60.76 87.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.8 127.72 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -112.22 151.13 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -137.86 -60.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.9 m 63.32 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.65 138.32 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.6 128.99 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -175.5 145.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 t -171.7 136.61 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.52 148.88 14.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.11 18.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -159.29 140.69 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.88 168.38 19.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -121.98 115.21 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 p -50.35 -54.26 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 -57.45 4.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.544 1.152 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -48.45 -57.14 6.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -49.25 -55.18 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' HA2' ' A' ' 7' ' ' GLY . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.972 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.972 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.693 ' CB ' HD12 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 61' ' ' ASN . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 38' ' ' GLU . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.924 HD21 HD22 ' A' ' 19' ' ' LEU . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.847 HD11 ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.756 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.847 ' HB2' HD11 ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.694 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HB3' HD11 ' A' ' 58' ' ' LEU . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' PRO . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -167.13 92.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 1.78 7.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.3 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' PRO . 1.5 ttt85 71.44 83.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -85.88 -59.18 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 64.13 79.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.71 171.03 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.0 129.77 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.94 175.28 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 t -174.92 159.17 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 p -179.54 166.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.41 82.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.28 33.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -178.82 164.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 161.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.22 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -47.78 -57.38 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.95 16.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -40.02 -57.68 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -47.8 -45.7 29.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.846 ' HA ' HD12 ' A' ' 41' ' ' LEU . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.602 ' OD1' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.042 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 61' ' ' ASN . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' OD1' ' A' ' 25' ' ' ASN . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 65' ' ' LYS . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.757 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' HD11 ' A' ' 45' ' ' ILE . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.515 ' HB3' HD21 ' A' ' 36' ' ' LEU . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.823 ' HB3' HD11 ' A' ' 58' ' ' LEU . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.042 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD11 HG23 ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -162.02 99.05 1.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.13 6.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -54.37 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.19 169.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.3 t -100.57 97.18 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -151.78 164.43 37.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.1 p -88.55 156.73 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -164.89 168.29 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.62 174.54 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.1 t -167.42 -57.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -39.58 -61.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.46 -166.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -155.42 -53.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 m 61.85 148.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -75.68 164.35 26.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -82.29 -59.9 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -64.06 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.51 -47.35 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 0.806 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.591 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -61.05 -57.78 11.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 6' ' ' SER . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.943 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.692 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.008 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 61' ' ' ASN . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 19' ' ' LEU . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 61' ' ' ASN . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.941 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.941 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' THR . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.77 ' HB3' HD21 ' A' ' 36' ' ' LEU . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ASP . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.008 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.38 84.57 2.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 1.91 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -39.9 106.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -115.7 170.43 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -60.09 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -49.31 129.49 18.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 p -98.49 136.36 38.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -173.6 127.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -164.86 158.73 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.39 153.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.8 p -145.33 155.49 43.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.82 98.58 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.98 6.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.87 154.02 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.44 169.53 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.57 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.57 -53.17 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -49.36 -51.41 34.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -50.96 -59.41 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.971 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.016 HD22 HD21 ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.867 ' HG3' HD12 ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.078 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 61' ' ' ASN . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.016 HD21 HD22 ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.704 ' HB ' HD13 ' A' ' 59' ' ' ILE . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.808 ' HA ' HG22 ' A' ' 59' ' ' ILE . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HE3' HG11 ' A' ' 44' ' ' VAL . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 65' ' ' LYS . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.808 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.784 ' HB3' HD21 ' A' ' 36' ' ' LEU . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.994 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.801 ' CE1' HD23 ' A' ' 58' ' ' LEU . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.078 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 -169.32 90.84 0.57 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 1.48 7.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 108.73 11.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 ttm105 -136.92 -54.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.61 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.1 117.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.654 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 -57.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.79 117.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.99 146.92 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m 55.28 169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 -57.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.43 80.58 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -53.77 123.72 13.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 t -119.83 168.64 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.11 89.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -95.98 -59.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -55.93 22.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 t -41.8 -50.15 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p -63.38 -46.93 84.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA2' ' A' ' 7' ' ' GLY . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.784 ' HA ' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' HD23 ' A' ' 41' ' ' LEU . 5.4 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.113 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.752 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 60' ' ' ASP . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD23 ' CE1' ' A' ' 67' ' ' PHE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.531 ' HB2' HD11 ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' HD21 ' A' ' 36' ' ' LEU . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD22 ' A' ' 58' ' ' LEU . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' HD23 ' A' ' 58' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.113 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 HG23 ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.601 ' CE2' HD21 ' A' ' 11' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -163.35 99.86 1.0 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.28 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -46.53 102.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.3 -57.13 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -40.36 -57.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.19 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.63 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 p -50.97 -57.61 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.87 93.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.85 -60.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 103.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -130.33 137.65 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.09 123.96 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 146.01 31.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.433 1.754 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.0 p -134.43 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.71 -58.53 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -125.96 105.34 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -94.88 -70.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.46 -48.29 60.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p -62.99 -35.08 78.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 41' ' ' LEU . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.148 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.546 ' O ' HD23 ' A' ' 36' ' ' LEU . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 35' ' ' SER . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 60' ' ' ASP . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' HG11 ' A' ' 44' ' ' VAL . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.816 HD13 ' CE1' ' A' ' 67' ' ' PHE . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.776 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' HB3' HD21 ' A' ' 36' ' ' LEU . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 58' ' ' LEU . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CE1' HD13 ' A' ' 58' ' ' LEU . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.148 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -167.29 94.54 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.78 7.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -43.57 144.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.59 126.27 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.76 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.4 137.75 2.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 m -139.75 140.64 36.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.29 145.22 21.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.01 -61.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.4 p -179.22 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 t 59.91 92.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.75 117.76 0.73 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.51 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.42 166.22 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.34 165.51 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 -59.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -54.61 -59.47 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.98 -57.63 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -57.19 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -54.89 -46.33 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 6' ' ' SER . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.877 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.877 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' O ' HG22 ' A' ' 42' ' ' VAL . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.98 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 19' ' ' LEU . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.767 HG22 ' HD3' ' A' ' 46' ' ' LYS . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD13 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.718 ' HB3' HD21 ' A' ' 36' ' ' LEU . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 58' ' ' LEU . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.679 ' CE1' HD13 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.98 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' CD1' HD21 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -168.47 96.78 0.56 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.97 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 51.0 89.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.24 157.38 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.6 m -75.53 103.8 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -129.71 -62.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 96.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -146.47 128.77 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.75 172.02 13.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.61 157.87 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.4 t -142.33 164.6 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.62 66.89 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.98 163.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 m 62.53 116.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.54 -57.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -69.68 -55.88 8.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.09 -68.53 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.33 -56.17 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -50.17 -42.4 51.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 6' ' ' SER . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' HG23 ' A' ' 44' ' ' VAL . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.802 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.058 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 36' ' ' LEU . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 35' ' ' SER . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' A' ' 59' ' ' ILE . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.764 ' HA ' HG22 ' A' ' 59' ' ' ILE . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.789 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 65' ' ' LYS . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 58' ' ' LEU . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.058 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 94.82 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.99 91.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.51 114.67 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -90.66 139.4 30.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -138.33 132.97 32.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 p -68.74 122.15 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -167.19 128.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.86 152.27 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.96 -42.94 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 p 58.57 -174.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.49 154.67 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t 69.81 161.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 p 59.49 165.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.76 155.72 26.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -93.0 -61.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.08 -57.99 16.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -45.01 -62.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.997 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.52 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.6 p -45.65 -43.57 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 6' ' ' SER . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.14 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CA ' ' A' ' 66' ' ' GLY . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 59' ' ' ILE . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' ALA . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.739 ' N ' HD13 ' A' ' 41' ' ' LEU . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 63' ' ' VAL . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' ASN . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.14 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.513 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -165.14 94.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.9 7.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -78.94 77.96 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.47 51.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.78 77.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 t60 52.61 175.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -116.57 104.32 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -179.91 159.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.09 176.65 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 p -115.49 -59.44 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.57 171.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.9 172.33 15.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -167.45 152.08 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 p -167.65 -61.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -86.16 123.36 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 -66.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -71.48 -50.75 19.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -38.7 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -42.58 91.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD12 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.039 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 61' ' ' ASN . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.734 HD21 HD22 ' A' ' 19' ' ' LEU . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 59' ' ' ILE . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.93 ' HA ' HG22 ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.689 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.93 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.039 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -166.87 90.9 0.75 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.72 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -64.09 -11.65 31.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.75 145.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.96 128.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -48.17 121.88 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 p -156.7 138.25 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -173.27 122.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.68 96.86 3.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.222 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.47 87.34 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.946 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.8 p -172.65 129.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.39 70.9 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.86 32.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.8 p -112.6 119.07 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.89 144.37 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -145.61 159.76 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -51.81 -57.61 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -65.1 1.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -46.16 -45.54 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t -61.41 -52.46 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 11' ' ' LEU . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.888 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CD2' HG23 ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 59' ' ' ILE . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.823 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.575 ' HE3' HG11 ' A' ' 44' ' ' VAL . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 58' ' ' LEU . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.001 HD11 HG23 ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 -149.87 104.1 3.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.05 3.72 5.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.55 92.73 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -167.91 33.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -161.51 172.98 15.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -81.6 129.04 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 p -47.68 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 61.9 122.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.79 173.68 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.03 152.28 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -169.93 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.61 -64.54 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.3 38.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 92' ' ' GLY . 22.9 p -136.94 127.03 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 m 69.41 -63.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.934 ' HA ' HD11 ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.072 HD22 HD21 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.68 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.099 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB3' ' A' ' 61' ' ' ASN . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.072 HD21 HD22 ' A' ' 19' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.68 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HE3' HG11 ' A' ' 44' ' ' VAL . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.775 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.888 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 58' ' ' LEU . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.768 ' CE1' HD13 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.099 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' PHE . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.82 ' O ' HD21 ' A' ' 19' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 10' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.621 ' CD1' HG23 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.662 ' CB ' HD12 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.017 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 61' ' ' ASN . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD22 HD21 ' A' ' 11' ' ' LEU . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.673 ' HA ' HG22 ' A' ' 59' ' ' ILE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.68 HD11 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 65' ' ' LYS . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.894 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 58' ' ' LEU . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.017 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.819 ' HG3' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.207 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HD23 ' A' ' 36' ' ' LEU . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' SER . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HB ' HD13 ' A' ' 59' ' ' ILE . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.943 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HA ' HG12 ' A' ' 42' ' ' VAL . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.659 ' CD1' HD23 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.207 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 HG23 ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 42' ' ' VAL . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.871 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CD1' HG23 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.204 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 10' ' ' LEU . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.853 HD11 ' HB2' ' A' ' 60' ' ' ASP . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.765 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 65' ' ' LYS . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 58' ' ' LEU . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 58' ' ' LEU . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.204 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.822 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.917 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.917 HD11 ' HA ' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.83 ' HG3' HD12 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.083 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.585 HD21 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 36' ' ' LEU . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 59' ' ' ILE . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.465 HD11 ' OD2' ' A' ' 60' ' ' ASP . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.585 ' CB ' HD21 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' C ' ' A' ' 62' ' ' GLY . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 58' ' ' LEU . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.083 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 77.3 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.04 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 19' ' ' LEU . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 60' ' ' ASP . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 67' ' ' PHE . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.665 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.04 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.041 HD22 HD21 ' A' ' 41' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.735 ' CB ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.139 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' HA3' ' A' ' 66' ' ' GLY . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 59' ' ' ILE . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.041 HD21 HD22 ' A' ' 19' ' ' LEU . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.885 ' HA ' HG22 ' A' ' 59' ' ' ILE . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.963 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.788 ' HA ' HG12 ' A' ' 42' ' ' VAL . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.968 ' CG ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.63 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.139 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 HG23 ' A' ' 68' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.509 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.625 HD22 ' OD2' ' A' ' 60' ' ' ASP . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.916 ' HA ' HD11 ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' CG ' HD23 ' A' ' 41' ' ' LEU . 11.5 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.144 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 61' ' ' ASN . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD11 HD22 ' A' ' 19' ' ' LEU . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.706 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 60' ' ' ASP . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.544 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.795 HD13 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.757 ' HB3' HD11 ' A' ' 45' ' ' ILE . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.547 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 62' ' ' GLY . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.735 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.795 ' CE1' HD13 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.144 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 10' ' ' LEU . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.77 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.77 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 44' ' ' VAL . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.163 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.413 HG13 ' HA3' ' A' ' 66' ' ' GLY . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 36' ' ' LEU . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.691 HD23 HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 59' ' ' ILE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 65' ' ' LYS . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.832 ' HB2' HD11 ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.664 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HE3' HD13 ' A' ' 45' ' ' ILE . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.163 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' HA2' ' A' ' 7' ' ' GLY . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.972 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.972 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.693 ' CB ' HD12 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 61' ' ' ASN . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 38' ' ' GLU . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.924 HD21 HD22 ' A' ' 19' ' ' LEU . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.847 HD11 ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.487 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.5 pm0 -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HE21 ' A' ' 54' ' ' GLN . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.756 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.847 ' HB2' HD11 ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.694 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HB3' HD11 ' A' ' 58' ' ' LEU . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' PRO . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.846 ' HA ' HD12 ' A' ' 41' ' ' LEU . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.602 ' OD1' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.042 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 61' ' ' ASN . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' OD1' ' A' ' 25' ' ' ASN . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 65' ' ' LYS . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.757 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' HD11 ' A' ' 45' ' ' ILE . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.515 ' HB3' HD21 ' A' ' 36' ' ' LEU . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.823 ' HB3' HD11 ' A' ' 58' ' ' LEU . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.042 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.618 HD11 HG23 ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.591 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 6' ' ' SER . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.943 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.692 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.008 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' OD2' ' A' ' 33' ' ' ASP . 3.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD2' ' NE2' ' A' ' 30' ' ' GLN . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 61' ' ' ASN . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 19' ' ' LEU . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 61' ' ' ASN . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.941 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.941 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' THR . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.77 ' HB3' HD21 ' A' ' 36' ' ' LEU . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ASP . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.008 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.971 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.016 HD22 HD21 ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.867 ' HG3' HD12 ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.078 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 61' ' ' ASN . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.016 HD21 HD22 ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.704 ' HB ' HD13 ' A' ' 59' ' ' ILE . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.808 ' HA ' HG22 ' A' ' 59' ' ' ILE . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD13 ' CE ' ' A' ' 65' ' ' LYS . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HE3' HG11 ' A' ' 44' ' ' VAL . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 65' ' ' LYS . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.808 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.784 ' HB3' HD21 ' A' ' 36' ' ' LEU . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.994 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.801 ' CE1' HD23 ' A' ' 58' ' ' LEU . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.078 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA2' ' A' ' 7' ' ' GLY . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.784 ' HA ' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.0 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.113 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.752 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 60' ' ' ASP . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD23 ' CE1' ' A' ' 67' ' ' PHE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.531 ' HB2' HD11 ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' HD21 ' A' ' 36' ' ' LEU . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD22 ' A' ' 58' ' ' LEU . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' HD23 ' A' ' 58' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.113 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 HG23 ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.601 ' CE2' HD21 ' A' ' 11' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 41' ' ' LEU . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.148 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.546 ' O ' HD23 ' A' ' 36' ' ' LEU . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 35' ' ' SER . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 60' ' ' ASP . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' HG11 ' A' ' 44' ' ' VAL . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.451 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.816 HD13 ' CE1' ' A' ' 67' ' ' PHE . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.776 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' HB3' HD21 ' A' ' 36' ' ' LEU . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 58' ' ' LEU . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CE1' HD13 ' A' ' 58' ' ' LEU . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.148 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 6' ' ' SER . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.877 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.877 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.625 ' O ' HG22 ' A' ' 42' ' ' VAL . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.98 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 19' ' ' LEU . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.767 HG22 ' HD3' ' A' ' 46' ' ' LYS . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD13 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.718 ' HB3' HD21 ' A' ' 36' ' ' LEU . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 58' ' ' LEU . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.679 ' CE1' HD13 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.98 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.531 ' CD1' HD21 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.956 -0.386 . . . . 0.0 109.956 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 6' ' ' SER . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' HG23 ' A' ' 44' ' ' VAL . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.802 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.058 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 36' ' ' LEU . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 35' ' ' SER . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' A' ' 59' ' ' ILE . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.764 ' HA ' HG22 ' A' ' 59' ' ' ILE . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.789 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 65' ' ' LYS . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 58' ' ' LEU . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.058 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.52 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 6' ' ' SER . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.14 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CA ' ' A' ' 66' ' ' GLY . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 59' ' ' ILE . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.739 ' N ' HD13 ' A' ' 41' ' ' LEU . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.668 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 63' ' ' VAL . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' ASN . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.14 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.513 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD12 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.039 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 61' ' ' ASN . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.734 HD21 HD22 ' A' ' 19' ' ' LEU . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 59' ' ' ILE . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.93 ' HA ' HG22 ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.689 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.93 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.039 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 11' ' ' LEU . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.888 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CD2' HG23 ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 59' ' ' ILE . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.823 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.575 ' HE3' HG11 ' A' ' 44' ' ' VAL . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 58' ' ' LEU . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.001 HD11 HG23 ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.04 95.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.972 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 m -71.72 -53.96 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.09 -66.31 1.54 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -41.08 -62.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -40.87 -58.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.739 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -49.42 -39.35 29.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 4.2 m -75.96 -34.21 59.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.3 mt -46.45 -32.93 3.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.934 ' HA ' HD11 ' A' ' 19' ' ' LEU . 1.6 mt -62.0 -41.98 98.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.49 -42.69 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -56.47 -50.7 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -114.5 159.27 37.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.12 16.98 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.94 -31.02 6.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -73.94 -3.62 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -130.43 15.65 5.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.072 HD22 HD21 ' A' ' 41' ' ' LEU . 6.4 mt -94.93 111.58 23.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 55.0 m-85 -129.23 141.14 51.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.68 ' CB ' HD12 ' A' ' 41' ' ' LEU . 17.9 tt0 -104.82 164.72 11.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.77 120.9 26.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.4 mm-40 -66.1 -48.87 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptt-85 -141.5 170.61 15.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.89 107.68 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.099 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.3 t80 -86.04 132.14 34.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.55 120.92 44.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.59 127.03 14.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.52 -43.99 5.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -113.85 -176.21 2.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -77.1 -23.39 51.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . 85.7 mt -82.71 -14.19 55.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -88.83 164.59 15.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.96 139.24 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -60.81 138.49 58.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD21 ' HB3' ' A' ' 61' ' ' ASN . 23.2 mt -134.92 178.44 7.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -126.18 134.39 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.8 pt-20 -53.61 -20.6 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.6 -12.68 53.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.27 147.82 29.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 0.793 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.072 HD21 HD22 ' A' ' 19' ' ' LEU . 2.5 tp -112.73 152.5 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.06 162.34 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.72 107.14 1.16 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.547 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.68 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.1 t -39.64 133.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.433 0.725 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.888 HD11 ' HB2' ' A' ' 60' ' ' ASP . 85.1 mt -108.4 -56.05 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 137.8 45.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HE3' HG11 ' A' ' 44' ' ' VAL . 56.7 mttt -96.96 38.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.56 -171.16 3.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -162.57 157.82 19.14 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 61.49 5.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.13 -43.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.85 69.06 0.53 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -160.49 123.92 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' O ' ' NE1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -86.36 -7.94 58.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.42 -42.22 92.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.6 ttp-105 -100.12 125.15 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' NE1' ' O ' ' A' ' 54' ' ' GLN . 43.9 m0 -118.52 160.25 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' CE1' ' A' ' 67' ' ' PHE . 36.7 tp -99.33 123.58 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.775 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -126.44 166.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.888 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -118.42 123.49 45.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -92.39 35.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.65 23.64 10.53 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 73.2 t -143.17 -51.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -148.96 -169.14 3.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' HB3' HD11 ' A' ' 58' ' ' LEU . 10.4 mttt -112.4 120.9 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.54 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.23 164.47 22.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.768 ' CE1' HD13 ' A' ' 58' ' ' LEU . 48.0 m-85 -116.11 124.87 51.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.099 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 25.2 m -140.61 160.92 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' PHE . 32.9 m-85 -87.39 126.89 35.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 p -40.22 -29.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.945 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 8.4 t -54.31 -45.57 72.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.1 m-85 -71.83 -19.01 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.75 170.94 7.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -146.35 147.98 32.93 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 102.77 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.796 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -60.55 179.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -158.96 87.6 2.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HA ' ' HB3' ' A' ' 82' ' ' HIS . 18.1 Cg_endo -75.02 2.03 7.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 141.3 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 77.17 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.22 91.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -174.73 63.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.36 148.24 26.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.023 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -157.41 147.75 20.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.12 174.82 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 169.02 17.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.33 169.65 19.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.33 120.68 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.8 6.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 159.42 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.5 p -151.46 170.01 20.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.58 115.44 27.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -61.92 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.05 -62.59 3.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -39.51 -46.17 1.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 9' ' ' SER . 23.0 t -54.7 -55.41 30.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.661 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -45.28 -35.61 5.16 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.428 1.08 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.67 -34.36 46.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.782 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -68.94 -32.12 71.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.003 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.82 ' O ' HD21 ' A' ' 19' ' ' LEU . 71.8 mt -52.9 -24.27 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD21 HD22 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -70.45 -26.5 63.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.85 -39.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -53.62 -56.04 20.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 86.9 m-85 -108.21 162.5 19.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.05 -25.47 11.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -79.98 -3.31 47.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -131.78 10.77 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.82 HD21 ' O ' ' A' ' 10' ' ' LEU . 7.5 mt -97.17 111.32 23.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.621 ' CD1' HG23 ' A' ' 44' ' ' VAL . 83.0 m-85 -128.25 142.32 51.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.662 ' CB ' HD12 ' A' ' 41' ' ' LEU . 10.9 tt0 -103.47 166.01 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.72 117.78 23.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mm-40 -64.11 -40.54 96.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.4 ptt180 -145.15 170.9 15.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 1.7 m120 -66.38 95.44 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.017 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.1 t80 -75.63 139.75 42.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.06 130.18 56.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 127.99 34.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -45.92 4.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -101.89 -177.81 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.67 -13.31 59.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.5 mt -93.13 -30.13 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.7 m-20 -68.04 164.64 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.1 m -151.63 129.76 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.0 m -53.54 149.21 8.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 61' ' ' ASN . 66.9 mt -150.17 150.71 32.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.1 mt -96.69 140.19 31.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 4.4 pt-20 -50.26 -21.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.25 -24.43 16.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' LEU . 61.0 m-20 -60.43 146.04 45.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD22 HD21 ' A' ' 11' ' ' LEU . 3.4 tp -118.36 152.45 35.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.5 m -142.92 164.64 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 115.45 2.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.673 ' HA ' HG22 ' A' ' 59' ' ' ILE . 12.7 t -46.7 132.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.68 HD11 ' HB2' ' A' ' 60' ' ' ASP . 31.1 mt -107.8 -53.68 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -133.25 141.29 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 45.0 mttt -96.98 26.9 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.36 170.96 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -128.83 158.18 73.2 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.05 9.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.058 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.1 mtt -102.18 -36.94 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 116.63 66.19 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.7 m -144.46 87.0 1.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 2.0 tt0 -58.31 -57.8 11.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -43.1 -33.92 0.96 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -88.41 124.12 33.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 51.6 m0 -117.92 154.04 32.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 107.986 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' A' ' 65' ' ' LYS . 40.2 tp -99.03 122.19 41.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.749 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -121.63 165.02 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -113.91 124.24 51.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' HB3' HD21 ' A' ' 36' ' ' LEU . 27.6 p-10 -95.0 42.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' VAL . . . 44.15 33.7 2.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLY . 77.4 t -156.06 -48.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 65' ' ' LYS . 15.2 t -151.19 -152.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.894 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.1 mttp -127.36 126.14 41.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.0 144.28 15.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 58' ' ' LEU . 54.5 m-85 -99.76 118.17 35.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.017 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.8 m -139.31 148.61 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.428 ' C ' ' N ' ' A' ' 71' ' ' SER . 5.8 m-30 -73.96 128.76 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -41.37 -28.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.25 -50.54 61.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.991 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.472 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 44.6 m-85 -70.28 -12.48 61.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.05 165.06 11.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -144.46 147.15 35.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 107.73 2.55 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 11' ' ' LEU . 40.2 t80 -52.41 179.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -164.24 98.77 0.91 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 2.14 6.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 86.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -96.58 82.29 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.242 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 40.51 70.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.412 ' O ' ' ND1' ' A' ' 82' ' ' HIS . 41.3 t-80 -164.18 48.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 t -168.95 171.7 8.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -134.84 92.42 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.13 165.15 13.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.3 t -169.34 109.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.85 -59.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.92 85.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.09 15.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 -59.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 t -170.76 159.76 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.04 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 p -162.87 91.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 m -80.83 -55.89 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.92 -58.56 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -42.35 -63.5 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.994 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 10' ' ' LEU . 4.9 m -42.09 -57.51 2.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.14 -39.22 69.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.92 -23.56 60.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -89.33 -24.88 21.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 6' ' ' SER . 30.4 mt -59.02 -22.87 61.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.931 HD23 ' CD1' ' A' ' 19' ' ' LEU . 2.3 mt -75.0 -46.7 33.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.07 -19.36 57.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -83.24 -49.43 9.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -117.49 154.57 50.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.78 15.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.98 -24.41 12.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.54 -3.45 43.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -130.8 10.37 5.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.931 ' CD1' HD23 ' A' ' 11' ' ' LEU . 6.4 mt -88.87 110.98 21.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CD2' HG23 ' A' ' 44' ' ' VAL . 68.3 m-85 -128.47 139.99 52.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.819 ' HG3' HD12 ' A' ' 41' ' ' LEU . 5.1 tt0 -103.54 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.82 102.04 12.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -43.71 -52.16 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.4 174.52 10.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -62.17 92.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.207 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.3 t80 -71.99 137.57 47.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -117.5 121.69 41.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.93 130.39 33.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.4 -47.36 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' NH1' ' A' ' 56' ' ' ARG . 11.9 pt20 -108.57 -174.57 2.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.54 -15.2 58.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.49 -9.87 36.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 29.2 m-20 -97.66 152.7 18.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.91 139.74 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.476 ' O ' HD23 ' A' ' 36' ' ' LEU . 7.4 m -59.52 148.28 33.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 35' ' ' SER . 95.6 mt -149.84 153.12 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 13.5 mt -94.89 143.97 26.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -50.88 -21.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.87 -28.05 9.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -54.0 139.0 35.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.6 tp -112.3 154.76 25.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HB ' HD13 ' A' ' 59' ' ' ILE . 18.5 m -148.08 165.43 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.46 114.87 2.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.943 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.0 t -48.64 133.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.579 0.811 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 21.1 mt -114.69 -57.75 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -119.04 139.01 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 57' ' ' TRP . 12.1 mttt -101.36 28.25 5.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -171.03 153.36 3.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -103.2 161.84 21.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.02 63.21 6.0 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.4 mtt -170.19 -62.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.79 71.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 53.1 m -148.9 100.32 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.76 . . . . 0.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -14.02 56.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -78.06 -20.07 53.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' NH1' ' NE2' ' A' ' 30' ' ' GLN . 1.2 ttm180 -109.43 122.58 47.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CZ2' ' HD3' ' A' ' 47' ' ' LYS . 45.5 m0 -113.92 148.1 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.659 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.1 tm? -94.56 129.77 41.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -133.78 161.47 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.24 127.66 56.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.463 ' HA ' HG12 ' A' ' 42' ' ' VAL . 42.9 p-10 -93.44 41.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 49.78 25.0 6.56 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 91.9 t -146.2 -49.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.1 t -150.15 -167.74 2.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.53 ' HG2' HD11 ' A' ' 58' ' ' LEU . 16.3 mttt -110.02 120.72 43.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.24 141.68 12.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.659 ' CD1' HD23 ' A' ' 58' ' ' LEU . 7.3 m-85 -98.76 120.68 39.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.207 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.4 m -137.77 148.25 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' C ' ' N ' ' A' ' 71' ' ' SER . 3.7 m-30 -76.37 127.11 32.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 69' ' ' TYR . 19.1 p -38.92 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -54.05 -48.93 70.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' TYR . 37.1 m-85 -73.32 -2.3 21.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 HG23 ' A' ' 68' ' ' VAL . 38.5 mt -115.76 157.01 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -133.62 146.65 61.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.26 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -57.88 179.55 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -167.69 92.56 0.67 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.78 7.38 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.76 85.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.1 ttt180 -168.2 -61.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.07 171.38 8.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -95.3 158.46 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.4 p -130.4 168.24 17.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -144.71 -54.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.18 174.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.81 -58.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.89 82.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.32 114.28 0.73 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.24 4.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.9 p -171.42 148.46 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.67 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.58 103.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -56.84 -48.47 77.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.24 -60.02 7.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -39.49 -62.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -60.81 -57.23 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -37.23 -36.1 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.574 1.171 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.65 -48.86 13.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 6' ' ' SER . 4.4 m -49.68 -33.72 16.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 42' ' ' VAL . 77.4 mt -52.7 -30.8 34.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.871 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -66.86 -25.31 66.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.51 -39.35 9.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -61.59 -56.14 23.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -109.57 158.24 35.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 172.09 17.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.811 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HB3' ' CG ' ' A' ' 78' ' ' PRO . 18.4 Cg_endo -74.95 -30.66 7.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.42 -3.86 33.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mttm -131.3 18.28 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.871 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.7 mt -102.32 111.37 23.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CD1' HG23 ' A' ' 44' ' ' VAL . 43.0 m-85 -117.82 141.95 47.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 41' ' ' LEU . 49.8 tt0 -102.48 157.4 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.49 101.53 10.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -46.72 -53.33 12.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 7.9 ptt180 -134.16 170.45 15.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.66 95.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.204 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.6 t80 -71.9 138.75 48.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -117.31 122.36 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.26 131.32 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -42.63 4.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -114.16 -177.48 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -78.18 -12.56 60.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.3 mt -93.24 -14.93 26.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.364 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 48.5 m-20 -89.4 165.79 14.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -149.81 133.26 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.5 m -57.83 141.9 47.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.29 153.42 43.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.7 mt -97.24 142.13 29.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.9 pt-20 -49.88 -21.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.71 -24.22 16.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.157 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 37' ' ' LEU . 70.9 m-20 -58.74 139.22 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 0.737 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.2 tp -109.74 154.18 23.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HA ' HD13 ' A' ' 10' ' ' LEU . 16.8 m -149.79 161.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.82 114.9 2.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.9 t -43.72 132.66 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.853 HD11 ' HB2' ' A' ' 60' ' ' ASP . 66.9 mt -106.09 -56.95 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -131.17 156.85 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.7 mttt -116.13 31.53 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.52 127.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.2 159.74 47.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 55.98 4.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -156.56 -57.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.36 70.67 0.07 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.06 80.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 0.808 . . . . 0.0 110.056 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -27.39 60.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -32.35 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 16.1 ttp-105 -103.3 132.28 49.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.479 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -120.07 159.16 25.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 107.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.808 HD13 ' CE1' ' A' ' 67' ' ' PHE . 19.4 tp -102.04 125.33 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.253 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.765 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -128.08 163.91 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -115.98 133.31 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.421 ' OD1' ' CG2' ' A' ' 63' ' ' VAL . 6.8 p30 -100.11 21.42 12.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.1 28.77 72.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 20.9 t -148.44 -48.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 65' ' ' LYS . 11.1 t -151.38 -159.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 58' ' ' LEU . 25.2 mttt -116.41 122.61 45.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.56 149.3 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.808 ' CE1' HD13 ' A' ' 58' ' ' LEU . 49.0 m-85 -107.3 124.32 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.204 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.0 m -139.41 161.93 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 29.3 m-85 -86.66 127.37 34.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -40.04 -29.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -56.49 -48.1 77.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.998 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' CE1' ' NE ' ' A' ' 24' ' ' ARG . 14.0 m-85 -71.47 -4.62 27.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD11 ' CG2' ' A' ' 68' ' ' VAL . 25.9 mt -117.98 164.69 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.55 145.87 45.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -58.91 179.5 0.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.445 1.091 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 -169.21 93.44 0.55 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.462 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.1 Cg_endo -75.01 1.64 7.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' ARG . 1.3 ttm180 56.28 -93.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' ARG . 14.2 ttm180 -77.18 106.26 8.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.96 105.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -106.63 121.08 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.2 p -171.81 75.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -176.22 145.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.03 163.0 12.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.71 97.47 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.2 m -120.37 114.41 21.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.33 171.71 20.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.1 t -130.95 -58.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.63 161.11 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -97.4 139.92 32.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.92 -29.28 14.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -60.05 1.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' SER . 50.4 m -48.54 -59.57 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -43.76 -57.41 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.45 -34.37 41.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.127 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -82.53 -20.56 36.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 5' ' ' SER . 0.7 OUTLIER -83.35 -30.69 27.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.4 mt -56.94 -27.66 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.917 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.0 mt -65.32 -36.76 85.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.32 -46.55 9.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -53.06 60.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -117.61 155.65 50.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.442 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.05 -15.06 20.83 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -84.47 -3.73 58.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -132.23 8.71 4.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.917 HD11 ' HA ' ' A' ' 11' ' ' LEU . 9.1 mt -88.58 115.18 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.9 m-85 -132.98 144.02 49.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.83 ' HG3' HD12 ' A' ' 41' ' ' LEU . 8.8 tt0 -104.14 165.5 11.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.76 103.35 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.62 -43.96 12.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.56 169.55 20.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -61.93 96.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.083 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 37.1 t80 -73.77 140.35 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -117.03 125.4 51.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.57 125.76 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.9 -44.82 4.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -102.39 -176.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.82 -16.84 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.244 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -93.36 -17.4 23.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.72 156.66 28.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 m -141.28 136.58 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.8 m -60.36 148.33 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.585 HD21 ' CB ' ' A' ' 61' ' ' ASN . 78.7 mt -150.11 149.34 30.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 37' ' ' LEU . 14.8 mt -94.06 142.55 27.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -50.99 -21.07 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.57 -25.32 13.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -59.82 144.82 47.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.83 HD12 ' HG3' ' A' ' 21' ' ' GLN . 1.9 tp -112.68 153.95 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG11 HD13 ' A' ' 36' ' ' LEU . 17.2 m -137.91 161.95 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.78 103.01 0.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 59' ' ' ILE . 7.2 t -39.75 135.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HD11 ' OD2' ' A' ' 60' ' ' ASP . 51.6 mt -111.61 -55.41 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -130.38 139.95 50.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 47.7 mttt -99.03 29.94 3.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -176.16 131.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 56' ' ' ARG . 15.8 m-20 -75.67 158.82 82.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 57.16 4.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -165.18 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.89 66.0 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.491 1.119 . . . . 0.0 111.039 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.4 m -147.37 115.1 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -25.27 17.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -60.46 -27.86 67.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 3.6 ttp-105 -115.71 127.8 55.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.444 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 38.8 m0 -119.7 162.05 19.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 107.982 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.9 tp -101.78 123.18 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.8 pp -126.11 163.37 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' OD2' HD11 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -113.18 122.68 48.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.585 ' CB ' HD21 ' A' ' 36' ' ' LEU . 34.4 p-10 -92.02 38.15 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 47.44 32.75 7.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' C ' ' A' ' 62' ' ' GLY . 83.5 t -153.33 -49.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.794 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.6 t -150.56 -167.14 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.368 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HB3' HD11 ' A' ' 58' ' ' LEU . 42.4 mttt -113.91 121.06 42.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.49 168.09 20.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.486 1.117 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' A' ' 58' ' ' LEU . 39.9 m-85 -121.38 123.97 43.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.083 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 29.6 m -140.61 161.01 24.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' PHE . 14.3 m-85 -85.35 126.74 33.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 p -39.25 -30.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.52 -49.09 73.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.014 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 69' ' ' TYR . 16.4 m-85 -69.51 -7.59 39.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' CG2' ' A' ' 68' ' ' VAL . 36.2 mt -115.06 166.4 11.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -143.56 149.72 48.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.13 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 78' ' ' PRO . 46.3 t80 -62.99 175.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.9 m-80 -172.95 91.87 0.38 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.2 Cg_endo -75.07 1.48 7.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -38.7 128.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -59.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' HIS . 0.5 OUTLIER -138.7 -63.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.973 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' CD2' ' N ' ' A' ' 82' ' ' HIS . 0.1 OUTLIER -40.02 158.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 52.44 83.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -152.09 159.46 43.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.94 84.33 2.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 t -163.24 167.16 22.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t -176.6 104.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 137.09 155.37 6.95 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -179.95 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.534 1.807 . . . . 0.0 111.048 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 t -135.37 158.67 43.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -173.25 -59.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.57 114.53 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -95.7 -58.1 2.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -54.77 32.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -44.92 -45.28 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 10' ' ' LEU . 77.3 p -70.18 -42.83 71.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.91 -25.36 2.35 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -91.94 -31.09 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -75.01 -49.09 20.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -45.58 -36.81 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 11.3 mt -58.86 -41.24 86.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.44 -50.0 8.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -56.11 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.04 151.75 40.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.69 14.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -26.94 10.49 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -77.15 -3.57 40.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -132.73 18.32 4.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -101.62 113.96 27.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.479 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.2 m-85 -133.8 142.8 48.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 39' ' ' GLY . 6.4 tt0 -104.97 170.01 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 37' ' ' LEU . . . -84.83 102.58 13.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -42.74 -40.62 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -150.24 171.63 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -61.82 93.9 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.04 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 40.7 t80 -73.9 140.36 45.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.26 120.61 38.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.85 129.19 9.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.94 -47.48 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -111.24 -176.86 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -79.98 -13.48 59.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.9 mt -93.41 -10.61 34.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -93.58 161.28 14.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.85 141.89 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 m -67.32 129.46 39.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 68.9 mt -138.34 164.33 29.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 3.7 mt -102.17 -156.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' ALA . 2.4 pt-20 -97.25 -24.84 15.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' O ' ' NE2' ' A' ' 21' ' ' GLN . . . -96.27 -25.49 12.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' OD2' HD12 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -44.36 123.65 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 0.722 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.821 HD11 HD22 ' A' ' 19' ' ' LEU . 2.2 tm? -99.05 151.2 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -146.59 161.88 9.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.32 103.25 0.83 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.51 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.7 t -38.61 135.46 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.665 HD11 ' HB2' ' A' ' 60' ' ' ASP . 37.0 mt -111.43 -57.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -126.78 155.5 42.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 12.0 mttp -113.17 31.89 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.23 168.98 25.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -131.67 173.3 6.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 49' ' ' ASP . 18.4 Cg_endo -74.98 -16.52 20.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 ttp -83.65 -50.02 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.51 47.87 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -131.0 102.45 6.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -64.51 -33.03 74.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -49.8 -27.59 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 7.5 ttp-105 -103.65 126.45 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 52.6 m0 -118.68 154.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.668 HD13 ' CE1' ' A' ' 67' ' ' PHE . 28.7 tp -99.25 116.67 31.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.741 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -115.33 162.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.665 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -115.33 122.1 44.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -92.03 37.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' VAL . . . 45.97 35.49 6.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' GLY . 85.9 t -157.08 -48.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 t -148.92 -159.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.8 mttt -122.7 130.21 52.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.27 154.92 22.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.668 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.4 m-85 -111.86 123.24 49.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.04 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.9 m -143.79 157.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 72' ' ' PHE . 19.5 m-85 -80.66 125.99 30.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.512 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 7.1 p -39.44 -29.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -54.93 -48.27 73.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 69' ' ' TYR . 23.1 m-85 -70.69 -7.1 42.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 68' ' ' VAL . 49.2 mt -113.42 159.52 19.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -127.03 149.82 70.36 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.75 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD1' HD21 ' A' ' 41' ' ' LEU . 26.1 t80 -49.47 -179.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -169.7 97.73 0.48 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.3 Cg_endo -74.98 1.84 7.28 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.93 110.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.38 135.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 m 53.55 78.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -174.84 70.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.552 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.34 169.45 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.043 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.24 156.9 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.81 153.07 52.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 71.1 m -106.4 160.11 15.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.3 144.84 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.11 157.29 48.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.2 11.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -126.42 167.99 14.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -53.69 164.74 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.52 83.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.743 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -81.01 -61.05 2.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.6 62.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -40.56 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 p -65.74 -38.53 89.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.41 -23.98 3.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -90.54 -37.0 14.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -71.75 -45.95 60.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 9.2 mp -45.0 -26.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.584 1.178 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.9 mt -69.1 -45.93 68.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.38 -48.08 12.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -53.89 -56.24 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.17 156.33 39.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.81 15.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.537 1.809 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.64 -4.39 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.308 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -129.39 15.95 6.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.041 HD22 HD21 ' A' ' 41' ' ' LEU . 6.0 mt -94.7 110.8 22.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 64.6 m-85 -129.37 141.82 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.735 ' CB ' HD12 ' A' ' 41' ' ' LEU . 12.8 tt0 -104.2 166.29 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.39 108.91 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.99 -40.38 73.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.02 169.83 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -61.54 111.92 2.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.139 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.8 t80 -92.04 129.84 37.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -108.43 116.29 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.92 125.77 14.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.06 -37.04 6.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' OE1' ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt-30 -99.99 -174.48 2.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.81 -17.17 32.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.8 mt -93.34 -14.95 26.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.83 152.95 27.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' HA3' ' A' ' 66' ' ' GLY . 3.8 m -133.47 141.24 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -62.93 127.13 29.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 59' ' ' ILE . 45.2 mt -122.97 172.82 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 16.8 mt -122.5 135.69 54.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 12.6 pt-20 -53.06 -20.02 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.75 -11.76 54.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -81.75 153.44 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.041 HD21 HD22 ' A' ' 19' ' ' LEU . 3.0 tp -116.36 146.81 42.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.1 m -131.5 160.39 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.19 110.35 1.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.885 ' HA ' HG22 ' A' ' 59' ' ' ILE . 21.8 t -40.05 131.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 60' ' ' ASP . 96.5 mt -106.8 -52.36 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -141.5 138.9 33.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 45.4 mttt -93.24 19.48 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -158.43 141.34 14.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.471 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -106.52 171.51 4.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.74 20.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 ttm -84.59 -42.64 15.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.49 48.11 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 m -120.84 80.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.773 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -47.15 -39.59 13.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -55.53 -33.11 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' OE1' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -102.41 125.29 49.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 39.3 m0 -120.83 168.8 11.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.035 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.968 HD11 ' CG ' ' A' ' 65' ' ' LYS . 59.2 tp -101.94 126.45 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.885 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.5 pp -135.47 160.29 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.963 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.7 t70 -128.99 112.04 13.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.788 ' HA ' HG12 ' A' ' 42' ' ' VAL . 3.3 p30 -66.75 -16.96 64.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.76 -34.01 4.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.1 t -85.88 -46.15 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.7 t -142.67 179.96 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.968 ' CG ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -123.47 121.92 36.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.63 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -137.45 179.83 17.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 49' ' ' ASP . 23.8 m-85 -114.16 131.06 56.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.798 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.139 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.1 m -140.7 172.64 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.1 m-85 -94.47 128.31 40.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.2 p -42.77 -28.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -61.76 -45.62 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 7.2 m-85 -68.48 -8.95 45.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD11 HG23 ' A' ' 68' ' ' VAL . 36.3 mt -110.4 170.15 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -147.63 146.68 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 109.29 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -50.73 -177.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -166.58 91.88 0.78 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.7 7.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.499 1.789 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 63.07 116.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 66.83 106.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.5 p -105.68 150.35 25.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -84.13 162.46 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.559 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.6 p -53.55 147.42 11.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -136.09 133.39 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -40.54 127.37 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.3 p -49.9 166.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -156.92 116.33 3.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 161.34 95.05 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -51.87 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.37 112.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 27.0 m -79.38 -58.15 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -140.0 -55.53 0.55 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 0.743 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -61.85 -60.24 3.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.98 -61.87 6.69 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.39 -48.45 5.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.732 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' SER . 24.2 m -52.34 -55.81 19.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -41.53 -38.17 2.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.41 59.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' SER . 1.4 m -61.18 -38.82 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.625 HD22 ' OD2' ' A' ' 60' ' ' ASP . 80.3 mt -46.91 -36.83 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.916 ' HA ' HD11 ' A' ' 19' ' ' LEU . 5.7 mp -59.07 -39.86 83.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.03 -43.93 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -57.06 -49.29 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 60' ' ' ASP . 96.6 m-85 -114.5 156.31 44.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.41 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 172.93 15.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.763 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.95 -27.21 10.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.09 -3.26 38.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -133.02 18.22 4.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.0 mt -100.46 116.36 32.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.5 m-85 -136.07 142.82 44.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.048 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' CG ' HD23 ' A' ' 41' ' ' LEU . 11.5 tt0 -107.35 168.73 9.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' HD23 ' A' ' 73' ' ' LEU . . . -83.66 112.64 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.49 -40.44 65.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 5.2 ptt180 -148.39 172.9 13.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -61.77 94.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.144 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 38.7 t80 -76.6 133.88 39.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -117.25 112.29 20.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HB2' ' CA ' ' A' ' 34' ' ' VAL . . . -43.86 127.55 5.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -45.88 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -95.26 -175.47 3.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.35 -19.09 43.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -93.04 -18.34 22.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.39 145.08 30.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CA ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 m -130.88 139.52 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.406 ' O ' HD23 ' A' ' 36' ' ' LEU . 15.8 p -58.89 147.47 33.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 61' ' ' ASN . 96.8 mt -150.3 155.19 39.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 40' ' ' ASP . 17.3 mt -99.42 139.1 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 22' ' ' ALA . 8.0 pt-20 -48.81 -21.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.72 -23.51 15.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 37' ' ' LEU . 45.0 m-20 -55.64 141.06 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.763 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD11 HD22 ' A' ' 19' ' ' LEU . 1.9 tm? -107.98 152.14 24.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.706 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -146.48 160.1 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.21 105.69 1.0 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.9 t -38.76 131.91 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 60' ' ' ASP . 57.7 mt -106.53 -55.13 5.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -130.49 145.61 51.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.544 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 57.0 mttp -104.66 30.21 5.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.16 128.5 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.22 161.22 60.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.01 63.72 6.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.2 OUTLIER -169.74 -56.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.61 68.49 0.04 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.6 p -155.97 121.8 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.968 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -11.61 37.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 -32.31 73.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.34 127.37 54.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.544 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 36.7 m0 -120.46 159.11 25.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.013 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.795 HD13 ' CE1' ' A' ' 67' ' ' PHE . 34.3 tp -97.94 118.24 34.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.691 ' C ' HD12 ' A' ' 59' ' ' ILE . 2.1 pp -118.27 163.37 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.757 ' HB3' HD11 ' A' ' 45' ' ' ILE . 7.3 p-10 -110.86 131.74 54.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.547 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.2 p-10 -102.68 27.15 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' C ' HG23 ' A' ' 63' ' ' VAL . . . 56.99 29.73 59.57 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 62' ' ' GLY . 66.5 t -151.39 -51.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -147.3 -160.77 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.735 ' HB3' HD11 ' A' ' 58' ' ' LEU . 14.4 mttt -118.85 121.3 39.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -125.1 161.15 19.68 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.795 ' CE1' HD13 ' A' ' 58' ' ' LEU . 42.9 m-85 -117.68 123.29 45.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.144 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 26.9 m -140.46 167.82 17.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.9 m-85 -92.13 129.29 38.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p -41.33 -28.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -59.73 -48.11 82.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 69' ' ' TYR . 13.0 m-85 -71.35 -6.05 37.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.885 HD11 ' CG2' ' A' ' 68' ' ' VAL . 42.4 mt -114.94 163.35 15.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.89 151.91 74.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.22 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.504 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.7 t80 -50.85 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -163.5 88.6 1.22 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 1.96 7.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 126.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 55.24 166.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.81 131.64 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -95.01 178.6 5.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -61.02 112.5 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -106.77 117.08 33.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.88 170.61 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 m 61.96 153.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.7 p -171.45 -44.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -173.8 145.85 8.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 178.45 7.24 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.423 1.749 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.16 140.12 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -63.05 161.29 13.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -145.59 109.81 4.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.993 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -95.39 -49.01 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.72 -58.82 4.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -43.99 -33.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -70.48 -50.23 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 10' ' ' LEU . . . -42.14 -27.53 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -78.62 -46.11 20.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -47.58 -37.47 12.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -52.11 -24.09 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.77 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -71.78 -30.42 65.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -98.25 -44.82 6.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -54.48 -55.92 24.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -108.45 157.87 35.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.58 20.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.97 -29.73 7.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.89 -3.66 36.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -129.55 12.63 5.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.77 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.9 mt -97.23 110.05 22.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.546 ' CD1' HG23 ' A' ' 44' ' ' VAL . 53.8 m-85 -119.8 138.35 53.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.71 162.62 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.51 108.22 15.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -51.36 -46.72 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NE ' ' CE1' ' A' ' 72' ' ' PHE . 0.1 OUTLIER -140.16 176.36 8.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -67.3 98.47 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.163 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 54.8 t80 -74.85 134.94 41.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -116.78 115.77 26.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.0 130.64 7.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.13 -47.11 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.58 -178.65 3.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -75.89 -14.19 60.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.29 -18.67 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -84.29 162.35 20.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.413 HG13 ' HA3' ' A' ' 66' ' ' GLY . 1.1 m -148.79 128.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.451 ' O ' HD23 ' A' ' 36' ' ' LEU . 74.1 p -55.37 150.15 11.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 61' ' ' ASN . 91.7 mt -149.89 156.08 41.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.6 mt -97.39 140.03 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.6 pt-20 -48.61 -21.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.95 -25.62 12.75 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.9 m-20 -55.42 139.16 44.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD23 HD21 ' A' ' 11' ' ' LEU . 13.2 tp -107.2 148.45 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 m -139.7 158.68 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.8 111.35 1.81 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.651 ' HA ' HG22 ' A' ' 59' ' ' ILE . 22.2 t -43.6 131.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.44 0.729 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.832 HD11 ' HB2' ' A' ' 60' ' ' ASP . 58.8 mt -108.69 -51.86 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -136.82 157.69 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -108.23 33.32 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.5 176.87 5.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -143.3 168.72 12.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.0 60.76 5.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.424 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 2.3 mtt -169.38 -54.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.5 64.51 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.0 p -134.6 77.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' O ' ' CD1' ' A' ' 57' ' ' TRP . 5.5 tt0 -46.13 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' GLN . 29.5 m-80 -39.96 -31.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -90.16 119.54 30.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.469 ' CD1' ' O ' ' A' ' 54' ' ' GLN . 44.9 m0 -116.21 148.66 40.19 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 65' ' ' LYS . 25.7 tp -92.1 117.17 29.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.9 pp -121.93 160.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.832 ' HB2' HD11 ' A' ' 45' ' ' ILE . 10.1 t0 -110.23 123.54 49.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.664 ' HB3' HD21 ' A' ' 36' ' ' LEU . 37.5 p-10 -91.2 40.98 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 46.21 30.41 4.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.3 t -150.23 -49.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.6 t -151.29 -161.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HE3' HD13 ' A' ' 45' ' ' ILE . 45.6 mttp -117.04 121.18 40.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.583 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -128.28 167.31 20.54 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.605 ' CE1' HD13 ' A' ' 58' ' ' LEU . 57.2 m-85 -120.09 122.24 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 111.056 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.163 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 34.0 m -138.54 155.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' PHE . 23.2 m-85 -79.76 129.25 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.455 ' OG ' ' CE3' ' A' ' 57' ' ' TRP . 1.8 m -40.04 -29.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -55.17 -47.05 75.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' TYR . 20.3 m-85 -73.9 -1.55 20.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.738 HD11 HG23 ' A' ' 68' ' ' VAL . 26.6 mt -118.23 157.12 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.23 146.22 57.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 101.28 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.565 1.824 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -52.33 -178.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -167.77 92.23 0.67 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.8 7.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 60.76 87.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.8 127.72 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -112.22 151.13 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -137.86 -60.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.9 m 63.32 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.962 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.65 138.32 7.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.6 128.99 36.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.8 t -175.5 145.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 t -171.7 136.61 0.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -53.52 148.88 14.94 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.11 18.66 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.423 1.749 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -159.29 140.69 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.88 168.38 19.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -121.98 115.21 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.777 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 p -50.35 -54.26 22.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.996 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.9 -57.45 4.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.544 1.152 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -48.45 -57.14 6.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -49.25 -55.18 13.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -54.36 -39.76 66.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.37 59.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.334 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 16.6 m -82.06 -31.14 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD12 ' HA2' ' A' ' 7' ' ' GLY . 70.9 mt -50.93 -24.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.972 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.6 mt -72.16 -34.28 68.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.2 -39.73 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -56.17 24.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -108.5 161.07 24.85 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 170.73 19.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.04 -32.19 5.53 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -73.63 -3.76 30.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -127.43 9.44 6.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.972 HD11 ' HA ' ' A' ' 11' ' ' LEU . 6.5 mt -89.88 111.3 22.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.557 ' CD2' HG23 ' A' ' 44' ' ' VAL . 61.8 m-85 -128.65 142.38 51.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.693 ' CB ' HD12 ' A' ' 41' ' ' LEU . 9.3 tt0 -103.81 168.55 9.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.14 110.28 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -55.22 -47.46 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -146.5 169.58 18.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -61.87 92.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.9 t80 -76.28 139.23 41.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -115.7 129.97 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 124.6 21.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.48 -44.22 4.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -96.89 -177.39 3.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.31 -17.19 52.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -93.44 -27.12 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -70.52 143.8 51.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.6 135.64 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -55.7 139.89 43.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.694 HD21 ' HB3' ' A' ' 61' ' ' ASN . 21.3 mt -137.25 159.12 42.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 38' ' ' GLU . 5.5 tp -113.73 130.03 56.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 37' ' ' LEU . 7.1 pt-20 -40.02 -40.28 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.29 -35.49 63.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 37' ' ' LEU . 84.2 m-20 -58.83 145.0 42.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.924 HD21 HD22 ' A' ' 19' ' ' LEU . 1.9 tp -117.16 152.47 34.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 61' ' ' ASN . 18.2 m -140.91 163.18 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.6 110.13 1.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.5 t -41.76 131.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.847 HD11 ' HB2' ' A' ' 60' ' ' ASP . 50.7 mt -105.38 -56.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -126.99 135.56 51.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD2' ' CZ2' ' A' ' 57' ' ' TRP . 3.4 mmtp -92.67 25.41 3.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.4 131.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -76.21 159.88 79.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 60.66 5.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.417 1.746 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtp -161.37 -46.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.87 62.99 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.22 123.29 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.487 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.5 pm0 -89.35 -11.64 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HE21 ' A' ' 54' ' ' GLN . 1.4 t30 -59.35 -34.67 72.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 69' ' ' TYR . 0.0 OUTLIER -111.92 134.45 53.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 70' ' ' SER . 46.3 m0 -122.11 159.94 26.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 67' ' ' PHE . 24.5 tp -103.62 122.75 45.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.756 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.7 pp -125.39 160.6 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.847 ' HB2' HD11 ' A' ' 45' ' ' ILE . 53.3 t0 -114.61 124.83 52.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.694 ' HB3' HD21 ' A' ' 36' ' ' LEU . 35.8 p-10 -93.39 36.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 51.09 25.98 11.38 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -144.75 -51.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.498 0.764 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.8 t -149.54 -171.78 3.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.578 ' HB3' HD11 ' A' ' 58' ' ' LEU . 27.8 mttp -110.65 120.78 43.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -129.15 159.88 22.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.699 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -114.25 124.37 51.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 28.6 m -142.92 158.89 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' CZ ' ' CZ ' ' A' ' 56' ' ' ARG . 24.3 m-85 -81.11 130.94 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 3.8 p -44.27 -26.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -58.68 -38.41 78.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' TYR . 10.7 m-85 -78.95 -6.46 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.9 mt -115.73 158.83 22.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -134.56 147.26 62.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -75.02 105.14 2.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' PRO . 29.2 t80 -49.77 -178.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -167.13 92.73 0.71 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 80' ' ' ARG . 18.2 Cg_endo -75.02 1.78 7.37 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.3 98.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 78' ' ' PRO . 1.5 ttt85 71.44 83.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 m -85.88 -59.18 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 64.13 79.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.6 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.71 171.03 18.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -143.0 129.77 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.94 175.28 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.2 t -174.92 159.17 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 p -179.54 166.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 175.41 82.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.28 33.64 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.498 1.788 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.8 t -178.82 164.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 161.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -59.22 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -47.78 -57.38 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.07 -56.95 16.44 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -40.02 -57.68 1.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 0.787 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -47.8 -45.7 29.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.47 -22.64 2.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -88.58 -33.99 17.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -68.37 -44.95 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 19' ' ' LEU . 9.6 mp -45.86 -30.52 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.8 mt -63.8 -43.64 95.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.73 -45.52 13.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -57.66 -56.13 25.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.412 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 97.1 m-85 -109.67 156.25 40.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.72 19.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.0 -30.7 6.88 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -74.59 -3.58 31.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.26 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -126.4 3.78 6.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.865 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.8 mt -87.64 110.44 20.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 44' ' ' VAL . 47.6 m-85 -122.6 140.73 52.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.846 ' HA ' HD12 ' A' ' 41' ' ' LEU . 51.2 tt0 -102.98 156.18 17.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.245 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -81.8 118.19 22.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.51 -51.3 52.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 170.93 14.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.602 ' OD1' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -68.13 115.81 8.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.042 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 25.9 t80 -92.63 139.85 30.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.32 128.85 55.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.68 123.63 18.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -42.14 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -99.87 -178.04 3.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -81.92 -16.14 51.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.1 mt -93.32 -27.9 16.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.26 152.59 45.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -138.94 130.1 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.5 m -52.98 146.85 10.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 61' ' ' ASN . 25.5 mt -141.05 -173.5 3.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.602 HD23 ' OD1' ' A' ' 25' ' ' ASN . 10.6 mt -136.04 141.04 44.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 6.3 pt-20 -57.21 -20.6 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.76 -11.79 52.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -78.69 149.34 32.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.6 tp -111.74 156.94 21.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 m -147.63 158.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.86 105.84 1.03 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.3 t -43.53 131.94 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 60' ' ' ASP . 22.5 mt -108.15 -54.87 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.77 137.57 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -95.96 20.2 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.42 143.42 30.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 160.51 26.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 59.5 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.63 -46.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 120.77 69.03 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.24 133.81 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.988 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -90.54 1.27 56.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -67.86 -42.78 80.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.0 ttp180 -105.01 129.37 53.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -120.69 160.38 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.823 HD11 ' HB3' ' A' ' 65' ' ' LYS . 51.2 tp -100.68 120.06 39.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.757 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -121.79 168.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' HD11 ' A' ' 45' ' ' ILE . 12.1 t0 -124.43 124.09 41.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.515 ' HB3' HD21 ' A' ' 36' ' ' LEU . 7.2 p30 -92.26 23.38 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.87 26.39 74.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' ' OD1' ' A' ' 61' ' ' ASN . 60.7 t -141.18 -60.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 0.798 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 10.1 t -140.67 -150.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.823 ' HB3' HD11 ' A' ' 58' ' ' LEU . 30.3 mttt -124.75 120.81 32.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -127.03 155.09 19.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' ' 58' ' ' LEU . 46.9 m-85 -111.99 125.09 53.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.042 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 16.6 m -138.7 175.23 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -95.41 134.33 38.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 7.1 p -49.36 -22.52 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -41.83 99.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -79.39 -4.41 50.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.618 HD11 HG23 ' A' ' 68' ' ' VAL . 40.4 mt -114.8 147.79 39.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.75 147.29 64.94 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 108.33 2.69 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -55.46 177.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -162.02 99.05 1.17 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.13 6.97 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.51 1.795 . . . . 0.0 110.96 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.0 ttt-85 -54.37 93.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.19 169.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.3 t -100.57 97.18 7.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -151.78 164.43 37.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.1 p -88.55 156.73 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -164.89 168.29 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.62 174.54 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.1 t -167.42 -57.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.98 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -39.58 -61.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 46.46 -166.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.75 5.3 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 p -155.42 -53.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 m 61.85 148.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -75.68 164.35 26.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -82.29 -59.9 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.02 -64.06 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.51 -47.35 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 0.806 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.591 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -61.05 -57.78 11.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.049 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -38.01 -31.55 0.1 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 11' ' ' LEU . . . -84.04 -48.0 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -55.25 -43.39 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' O ' ' A' ' 6' ' ' SER . 6.9 mp -41.93 -40.3 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.4 mp -55.55 -46.58 77.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.15 -49.08 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -53.3 -55.22 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 11' ' ' LEU . 97.8 m-85 -108.21 154.52 41.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 170.21 20.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.01 -19.55 17.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.556 1.819 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -81.72 -3.21 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 44' ' ' VAL . 33.4 mttt -133.95 11.05 3.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.943 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.7 mt -88.24 110.13 20.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.128 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 38.0 m-85 -130.08 142.54 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.692 ' CB ' HD12 ' A' ' 41' ' ' LEU . 6.7 tt0 -103.75 170.93 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -88.36 100.11 12.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -43.63 -53.53 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 174.91 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -61.93 92.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.008 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 48.0 t80 -71.51 131.99 44.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -116.32 114.96 25.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.77 118.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.63 -40.01 5.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' NE2' ' OD2' ' A' ' 33' ' ' ASP . 3.4 mp0 -95.5 -174.01 3.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -84.46 -24.33 29.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.6 mt -93.39 -25.54 17.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' OD2' ' NE2' ' A' ' 30' ' ' GLN . 65.5 m-20 -59.25 163.72 3.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.7 m -151.6 133.2 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 148.21 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 61' ' ' ASN . 94.0 mt -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.3 mt -92.8 140.29 29.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 4.0 pt-20 -49.44 -21.75 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.8 -27.76 10.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -56.13 143.79 31.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.707 HD21 HD22 ' A' ' 19' ' ' LEU . 3.5 tp -116.23 153.76 31.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' HA ' ' A' ' 61' ' ' ASN . 17.2 m -143.71 163.79 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.7 94.55 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.941 ' HA ' HG22 ' A' ' 59' ' ' ILE . 8.6 p -45.43 136.51 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.609 ' HB ' HD13 ' A' ' 58' ' ' LEU . 26.1 mt -110.59 -58.59 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -104.55 140.62 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.576 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 80.2 mttt -101.96 19.62 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -174.37 139.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -83.44 165.98 37.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.81 10.4 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.6 ttm -85.3 -52.05 6.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.63 43.51 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.85 74.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.042 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -22.85 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -59.71 -17.49 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' NH2' ' CE2' ' A' ' 69' ' ' TYR . 1.7 ttm180 -111.4 128.96 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -115.14 141.94 47.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 108.033 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.908 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -89.24 125.77 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.941 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.3 pp -126.48 164.34 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' THR . 1.8 t70 -123.43 120.84 34.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.77 ' HB3' HD21 ' A' ' 36' ' ' LEU . 40.4 p-10 -83.57 49.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 40.49 27.41 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 70.4 t -146.46 -46.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 0.758 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 60' ' ' ASP . 10.7 t -150.53 -171.24 3.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -109.73 125.44 52.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.58 144.62 16.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 58' ' ' LEU . 21.6 m-85 -101.45 127.63 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.008 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 33.2 m -143.65 157.87 16.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.628 ' CE2' ' NH2' ' A' ' 56' ' ' ARG . 25.4 m-85 -83.02 129.41 35.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' LEU . 19.3 p -38.76 -30.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -52.38 -54.73 28.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -67.67 -7.15 24.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.514 HD11 ' CG2' ' A' ' 68' ' ' VAL . 58.5 mt -111.17 163.13 14.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -140.24 143.53 33.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 107.46 2.49 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -66.42 -179.57 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.38 84.57 2.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 1.91 7.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -39.9 106.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -115.7 170.43 8.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -60.09 4.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -49.31 129.49 18.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.6 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 p -98.49 136.36 38.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -173.6 127.26 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -164.86 158.73 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.39 153.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.8 p -145.33 155.49 43.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.82 98.58 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.98 6.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.87 154.02 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.44 169.53 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.57 -60.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.49 -59.27 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.57 -53.17 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -49.36 -51.41 34.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -50.96 -59.41 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.74 -30.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' SER . . . -87.14 -57.78 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.249 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.7 OUTLIER -40.07 -46.33 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mp -40.5 -43.59 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.971 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.7 mp -52.47 -47.13 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -80.2 -48.19 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -56.19 17.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.8 m-85 -106.65 155.21 39.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.22 16.79 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.543 1.812 . . . . 0.0 111.003 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -26.63 10.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.467 1.772 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.61 -3.78 42.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -130.5 10.55 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.016 HD22 HD21 ' A' ' 41' ' ' LEU . 6.6 mt -89.94 111.17 22.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 41.2 m-85 -129.1 142.89 50.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.867 ' HG3' HD12 ' A' ' 41' ' ' LEU . 6.9 tt0 -104.15 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.97 111.41 19.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.45 -44.97 72.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 168.83 20.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.33 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -61.72 93.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.078 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 27.7 t80 -72.58 140.92 48.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 124.74 50.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.37 126.28 20.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.29 -45.11 4.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -100.01 -175.97 3.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -16.0 50.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.2 mt -93.02 -24.25 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 5.6 m-20 -70.04 162.81 27.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -150.87 129.33 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.9 m -49.46 147.8 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 61' ' ' ASN . 68.3 mt -147.13 148.96 32.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.6 mm? -94.65 136.34 35.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -48.68 -22.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -94.12 -25.23 17.38 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 37' ' ' LEU . 32.6 m-20 -61.68 147.45 45.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.747 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.016 HD21 HD22 ' A' ' 19' ' ' LEU . 1.5 tp -112.89 154.45 26.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.704 ' HB ' HD13 ' A' ' 59' ' ' ILE . 10.3 m -141.28 160.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.29 106.9 1.16 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.808 ' HA ' HG22 ' A' ' 59' ' ' ILE . 5.1 t -44.5 134.67 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD13 ' CE ' ' A' ' 65' ' ' LYS . 20.3 mt -119.27 -54.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.4 141.23 52.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HE3' HG11 ' A' ' 44' ' ' VAL . 12.2 mttt -103.95 26.14 9.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.73 167.66 29.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -134.2 161.02 66.25 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 68.84 5.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.08 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.61 61.54 0.41 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.34 122.52 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.33 18.38 7.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -90.12 -37.26 14.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 19.1 ttm105 -104.58 124.61 49.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 48.2 m0 -111.77 160.22 17.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.036 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.994 HD21 ' HB3' ' A' ' 65' ' ' LYS . 1.6 tm? -101.23 130.06 47.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.808 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.5 pp -133.26 166.43 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 26.2 t70 -114.26 124.02 50.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.784 ' HB3' HD21 ' A' ' 36' ' ' LEU . 21.5 p-10 -83.98 8.88 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.54 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.502 ' CG2' ' ND2' ' A' ' 61' ' ' ASN . 27.5 m -94.49 -48.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 65' ' ' LYS . 9.0 t -139.41 -164.11 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.994 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.64 121.64 39.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.07 148.21 17.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.801 ' CE1' HD23 ' A' ' 58' ' ' LEU . 9.0 m-85 -98.21 123.02 42.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 111.061 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.078 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 17.6 m -141.38 151.62 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 72' ' ' PHE . 3.4 m-85 -71.83 123.88 23.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.966 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.8 p -39.36 -29.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -57.22 -49.8 74.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.449 ' N ' ' O ' ' A' ' 69' ' ' TYR . 17.6 m-85 -67.87 -6.94 24.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.772 HD11 HG23 ' A' ' 68' ' ' VAL . 58.7 mt -110.47 159.2 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -139.29 147.82 54.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.96 116.37 4.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 37.6 t80 -72.52 175.24 6.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 5.3 m-20 -169.32 90.84 0.57 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -74.99 1.48 7.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.26 108.73 11.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 ttm105 -136.92 -54.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.61 -67.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.1 117.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.654 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 -57.74 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.79 117.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.99 146.92 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.1 m 55.28 169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.01 -57.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.43 80.58 1.3 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.2 t -53.77 123.72 13.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.963 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.9 t -119.83 168.64 10.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.11 89.92 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -95.98 -59.68 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -55.93 22.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.112 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 t -41.8 -50.15 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.752 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' SER . 39.0 p -63.38 -46.93 84.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.56 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -48.97 -30.24 9.17 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.99 -26.17 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' SER . 5.8 m -80.46 -32.92 37.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD12 ' HA2' ' A' ' 7' ' ' GLY . 89.5 mt -50.51 -26.87 5.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.784 ' HA ' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -68.81 -34.69 75.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -90.39 -39.6 12.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -53.4 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -112.36 156.64 41.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 171.4 18.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.31 11.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -79.19 -3.43 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -132.52 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.2 mt -100.7 110.81 22.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CD2' ' CG2' ' A' ' 44' ' ' VAL . 78.1 m-85 -128.07 143.62 51.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.452 ' CG ' HD23 ' A' ' 41' ' ' LEU . 12.0 tt0 -108.02 168.43 9.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.54 110.16 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 2.2 mt-10 -53.12 -44.62 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.0 176.33 9.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -65.56 101.05 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.113 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -85.49 139.82 31.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -117.51 128.39 54.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.69 124.09 19.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.43 -43.34 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -98.64 -174.31 2.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -82.63 -19.82 37.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' PHE . 50.9 mt -93.1 -10.11 37.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.21 142.27 27.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -132.93 136.27 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.1 m -52.9 139.87 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.7 mt -140.82 152.72 45.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.5 mt -100.98 138.56 37.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.414 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 9.3 pt-20 -48.3 -21.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.53 12.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' LEU . 53.8 m-20 -54.38 139.06 38.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.4 tm? -109.51 151.27 26.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.752 ' N ' HD13 ' A' ' 41' ' ' LEU . 14.1 m -150.57 162.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.19 108.19 1.26 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.813 ' HA ' HG22 ' A' ' 59' ' ' ILE . 2.6 t -41.77 129.41 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 60' ' ' ASP . 7.1 mt -107.55 -60.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.29 132.97 56.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -92.92 27.81 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.51 147.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 56' ' ' ARG . 3.0 m-20 -83.61 158.11 63.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 60.17 5.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.464 1.77 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -41.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.53 59.94 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 109.43 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -21.17 23.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -59.95 -32.82 71.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 26.8 ttp180 -109.13 131.02 55.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -115.13 151.88 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD23 ' CE1' ' A' ' 67' ' ' PHE . 1.6 tm? -97.29 132.76 42.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.813 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.4 pp -137.12 164.35 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.531 ' HB2' HD11 ' A' ' 45' ' ' ILE . 14.4 t0 -118.25 130.58 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' HD21 ' A' ' 36' ' ' LEU . 48.9 p-10 -97.02 37.33 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 53.19 22.43 14.07 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -142.7 -52.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.78 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.3 t -146.76 -171.38 3.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -109.92 120.79 43.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' O ' HD22 ' A' ' 58' ' ' LEU . . . -126.29 155.53 19.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.703 ' CE1' HD23 ' A' ' 58' ' ' LEU . 5.6 m-85 -113.07 123.04 49.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.113 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.88 153.07 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' SER . 22.4 m-85 -76.83 125.07 28.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' TYR . 10.5 p -38.79 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -52.02 -53.25 44.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.78 -7.32 26.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD11 HG23 ' A' ' 68' ' ' VAL . 80.7 mt -110.37 157.62 19.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -129.92 151.05 77.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 101.7 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.601 ' CE2' HD21 ' A' ' 11' ' ' LEU . 22.3 t80 -48.88 179.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.046 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -163.35 99.86 1.0 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 2.28 6.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.8 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -46.53 102.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.3 -57.13 2.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.8 m -40.36 -57.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -99.19 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.63 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.6 p -50.97 -57.61 8.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.87 93.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -163.85 -60.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.39 103.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.5 m -130.33 137.65 50.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.09 123.96 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 146.01 31.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.433 1.754 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 85.0 p -134.43 172.65 12.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.71 -58.53 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.547 1.154 . . . . 0.0 110.963 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -125.96 105.34 8.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 109.962 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -94.88 -70.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.46 -48.29 60.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 9' ' ' SER . 29.8 p -62.99 -35.08 78.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.43 -29.44 1.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.72 -40.45 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' ARG . 11.2 t -48.77 -36.57 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 41' ' ' LEU . 7.9 mp -52.18 -23.85 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -80.59 -27.71 37.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -96.37 -17.75 20.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' SER . 34.5 mtt180 -92.66 -56.61 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.502 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 89.7 m-85 -102.08 154.48 37.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.44 18.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.93 -25.99 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.59 -3.71 45.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -130.75 12.82 5.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.879 HD13 HD13 ' A' ' 11' ' ' LEU . 8.1 mt -98.94 110.72 23.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.1 m-85 -121.8 143.69 49.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.798 ' HA ' HD12 ' A' ' 41' ' ' LEU . 50.0 tt0 -102.86 155.97 17.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.2 101.71 10.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.7 mm-40 -46.93 -53.56 11.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -134.21 169.22 17.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -62.26 97.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.148 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 34.6 t80 -72.2 139.74 48.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -117.08 120.93 39.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.34 127.65 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.07 -45.16 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -98.42 -176.74 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.73 -15.03 53.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.39 -23.09 18.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 23.1 m-20 -70.51 165.48 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 2.3 m -149.85 135.42 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.546 ' O ' HD23 ' A' ' 36' ' ' LEU . 16.6 p -58.77 139.48 56.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 35' ' ' SER . 92.2 mt -140.2 151.88 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 mt -98.34 141.67 30.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.6 pt-20 -49.54 -21.25 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.31 -24.23 17.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 37' ' ' LEU . 73.5 m-20 -59.54 140.43 56.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.1 tp -110.1 143.61 39.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 36' ' ' LEU . 16.0 m -129.85 158.73 42.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.83 101.44 0.76 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.652 ' HA ' HG22 ' A' ' 59' ' ' ILE . 6.4 t -40.97 132.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 60' ' ' ASP . 39.6 mt -110.53 -55.38 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.9 132.9 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' HG11 ' A' ' 44' ' ' VAL . 48.6 mttp -93.16 32.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -175.76 131.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 56' ' ' ARG . 28.6 p-10 -93.79 158.27 36.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' C ' ' SD ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.01 51.04 2.69 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 50' ' ' PRO . 0.6 OUTLIER -132.89 -44.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.12 48.35 0.29 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.54 127.44 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.451 HE21 ' N ' ' A' ' 55' ' ' ASN . 1.0 OUTLIER -86.69 -3.05 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' HE21 ' A' ' 54' ' ' GLN . 0.7 OUTLIER -63.43 -32.94 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 9.7 ttp-105 -111.79 130.48 55.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.261 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 38.4 m0 -119.75 166.23 13.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.816 HD13 ' CE1' ' A' ' 67' ' ' PHE . 45.6 tp -107.85 119.35 39.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.776 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -118.86 165.77 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' CB ' ' OH ' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -114.97 122.9 47.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' HB3' HD21 ' A' ' 36' ' ' LEU . 22.1 p-10 -93.28 36.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.63 27.29 5.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 80.8 t -148.28 -49.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.0 t -151.14 -168.05 2.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.759 ' HB3' HD11 ' A' ' 58' ' ' LEU . 35.8 mttt -109.76 120.77 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.48 148.93 17.74 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.816 ' CE1' HD13 ' A' ' 58' ' ' LEU . 41.2 m-85 -105.32 126.17 51.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 0.792 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.148 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 18.6 m -142.29 167.48 15.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 71' ' ' SER . 20.4 m-85 -91.81 130.13 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -43.82 -26.93 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.407 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.33 -48.73 73.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -73.02 -10.56 59.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 68' ' ' VAL . 86.8 mt -108.09 164.93 11.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -143.94 145.23 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 105.34 2.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.57 178.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -167.29 94.54 0.67 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.78 7.35 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.035 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -43.57 144.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.59 126.27 9.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.76 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -167.4 137.75 2.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.601 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.7 m -139.75 140.64 36.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -155.29 145.22 21.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.01 -61.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.4 p -179.22 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.8 t 59.91 92.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.112 . . . . 0.0 110.031 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.75 117.76 0.73 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 144.51 30.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.42 166.22 18.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.34 165.51 21.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.98 -59.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -54.61 -59.47 4.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.98 -57.63 15.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -57.19 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' SER . 78.0 p -54.89 -46.33 74.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.77 -23.98 1.68 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -84.7 -36.98 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -74.37 -46.24 41.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD13 ' O ' ' A' ' 6' ' ' SER . 1.4 mp -45.8 -26.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.877 ' HA ' HD11 ' A' ' 19' ' ' LEU . 7.0 mt -72.61 -43.1 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -81.3 -49.54 10.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -53.79 -56.19 19.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' OH ' ' CB ' ' A' ' 60' ' ' ASP . 94.9 m-85 -107.7 153.43 41.48 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.98 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.05 -26.62 10.66 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.577 1.83 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -76.62 -3.7 39.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -129.94 11.27 5.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.877 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.2 mt -92.81 116.86 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' O ' HG22 ' A' ' 42' ' ' VAL . 28.1 m-85 -135.48 143.82 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HA ' HD22 ' A' ' 41' ' ' LEU . 5.2 tt0 -104.71 170.12 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.45 117.46 23.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.99 -42.38 94.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -147.09 170.02 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -61.83 97.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.98 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 16.4 t80 -80.58 139.6 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.33 127.26 53.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.29 127.43 30.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.28 -46.01 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -102.73 -178.08 3.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.75 -14.65 59.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.6 mt -93.14 -24.01 18.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.87 156.77 36.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -144.45 128.48 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 p -49.16 146.2 3.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.002 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 61' ' ' ASN . 79.0 mt -147.97 151.4 35.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -99.43 139.79 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 22' ' ' ALA . 5.8 pt-20 -48.69 -21.26 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -96.24 -27.08 10.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' LEU . 51.3 m-20 -52.0 145.74 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.777 HD11 HD22 ' A' ' 19' ' ' LEU . 1.8 tm? -108.14 153.75 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' N ' HD13 ' A' ' 41' ' ' LEU . 11.4 m -147.08 156.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -122.29 104.03 0.88 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.431 1.082 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 59' ' ' ILE . 4.5 t -39.91 129.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.767 HG22 ' HD3' ' A' ' 46' ' ' LYS . 5.7 mt -104.36 -57.02 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.767 ' HD3' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -127.11 144.01 51.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -99.5 25.15 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.68 127.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.1 p-10 -74.98 156.97 85.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 59.71 5.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.67 -60.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.31 57.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.8 m -154.2 110.9 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.9 -13.28 57.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -63.38 -31.29 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' CZ ' ' CE1' ' A' ' 69' ' ' TYR . 1.9 ttm180 -108.16 126.35 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -117.73 162.14 18.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD13 ' CE1' ' A' ' 67' ' ' PHE . 37.7 tp -105.12 125.39 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.777 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.6 pp -125.02 165.45 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' HD11 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -115.63 114.46 24.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.718 ' HB3' HD21 ' A' ' 36' ' ' LEU . 20.7 p-10 -76.51 -1.73 28.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.08 -35.29 5.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG22 ' ND2' ' A' ' 61' ' ' ASN . 27.6 m -93.41 -48.5 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.43 ' N ' HG23 ' A' ' 63' ' ' VAL . 11.6 t -141.64 -162.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HD11 ' A' ' 58' ' ' LEU . 3.0 mttt -122.92 120.71 34.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.28 153.16 17.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.14 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.679 ' CE1' HD13 ' A' ' 58' ' ' LEU . 47.8 m-85 -101.79 123.16 45.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.98 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 21.1 m -144.49 153.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.51 ' CE1' ' CZ ' ' A' ' 56' ' ' ARG . 11.8 m-30 -75.44 125.53 29.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' TYR . 12.8 p -38.82 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.05 -50.27 73.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TYR . 9.3 m-85 -68.15 -7.14 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.849 HD11 HG23 ' A' ' 68' ' ' VAL . 51.6 mt -113.03 165.71 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.17 151.72 74.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 113.38 3.78 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.531 ' CD1' HD21 ' A' ' 41' ' ' LEU . 34.9 t80 -60.64 -179.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -168.47 96.78 0.56 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.97 7.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.443 1.759 . . . . 0.0 111.038 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 51.0 89.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.24 157.38 43.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.6 m -75.53 103.8 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -129.71 -62.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 96.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -146.47 128.77 15.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -144.75 172.02 13.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.61 157.87 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.033 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.4 t -142.33 164.6 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.62 66.89 0.52 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.78 5.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.98 163.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 m 62.53 116.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.54 -57.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -69.68 -55.88 8.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.09 -68.53 0.85 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.33 -56.17 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -50.17 -42.4 51.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.956 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.4 -21.95 9.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.15 -25.6 18.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -72.51 -40.17 67.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 6' ' ' SER . 6.1 mp -50.48 -35.05 27.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.668 ' HA ' HD11 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -59.03 -24.72 63.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.37 -44.38 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.1 mtt-85 -53.96 -56.45 17.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 90.6 m-85 -107.15 158.28 33.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.99 21.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HA ' ' HB2' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.02 -25.77 11.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -79.41 -3.54 46.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.8 mttm -130.3 9.27 5.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.3 mt -94.78 110.8 22.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' CD1' HG23 ' A' ' 44' ' ' VAL . 39.9 m-85 -120.49 141.85 49.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.802 ' HA ' HD12 ' A' ' 41' ' ' LEU . 48.6 tt0 -102.91 157.05 17.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -82.31 111.69 18.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 3.2 mm-40 -59.13 -52.35 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.76 169.29 17.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.68 111.4 1.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.058 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 44.7 t80 -91.26 138.61 31.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -116.41 111.8 20.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 33' ' ' ASP . . . -48.99 120.35 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.8 -40.95 5.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -87.27 -171.34 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.11 -67.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.5 mp -57.88 -31.74 67.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' HB3' ' HA ' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -42.47 133.77 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 32' ' ' LEU . 11.6 m -132.62 143.82 38.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.422 ' O ' HD23 ' A' ' 36' ' ' LEU . 31.6 m -64.24 150.48 45.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 35' ' ' SER . 96.4 mt -149.51 152.62 35.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 21.7 mt -103.94 140.96 36.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' ALA . 3.8 pt-20 -48.26 -21.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 37' ' ' LEU . . . -94.54 -26.83 12.58 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 37' ' ' LEU . 77.5 m-20 -57.88 147.48 28.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 21' ' ' GLN . 14.3 tp -117.05 142.89 46.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' A' ' 59' ' ' ILE . 14.0 m -132.64 157.98 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.84 105.83 1.03 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.764 ' HA ' HG22 ' A' ' 59' ' ' ILE . 10.7 t -43.92 128.18 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 60' ' ' ASP . 15.4 mt -104.45 -53.98 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.47 149.72 50.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 42.5 mttp -106.17 21.83 16.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.22 142.88 14.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.64 164.23 17.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.4 Cg_endo -75.02 63.52 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.47 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 1.8 mtt -170.38 -60.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 144.83 71.09 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 99.77 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -7.03 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -82.65 -30.81 29.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 34.7 ttp180 -101.95 129.06 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 51.5 m0 -117.43 164.33 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.005 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 67' ' ' PHE . 8.0 tp -108.49 128.87 55.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.789 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.4 pp -130.31 165.22 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' HB2' HD11 ' A' ' 45' ' ' ILE . 15.1 t0 -125.87 126.39 44.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -92.74 26.75 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.414 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 63.65 31.59 81.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.006 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.0 t -145.62 -57.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 65' ' ' LYS . 14.8 t -141.3 -153.04 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HB3' HD11 ' A' ' 58' ' ' LEU . 85.6 mttt -128.8 131.98 47.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' HD12 ' A' ' 58' ' ' LEU . . . -142.34 159.21 27.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.59 ' CE1' HD13 ' A' ' 58' ' ' LEU . 24.5 m-85 -116.89 129.88 56.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.058 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 27.0 m -144.49 165.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.439 ' C ' ' N ' ' A' ' 71' ' ' SER . 23.4 m-85 -85.77 127.1 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' LEU . 48.4 p -39.29 -29.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 69' ' ' TYR . 2.0 m -53.42 -52.69 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -66.15 -9.01 27.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.454 HD11 ' CG2' ' A' ' 68' ' ' VAL . 64.5 mt -113.76 167.6 10.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -146.24 145.57 24.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -65.41 178.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 94.82 0.45 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 1.66 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.99 91.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.51 114.67 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -90.66 139.4 30.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -138.33 132.97 32.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.5 p -68.74 122.15 17.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -167.19 128.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.86 152.27 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.96 -42.94 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.3 p 58.57 -174.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.49 154.67 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t 69.81 161.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.037 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.4 p 59.49 165.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.76 155.72 26.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 m -93.0 -61.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.08 -57.99 16.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -45.01 -62.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.997 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.52 ' O ' HD13 ' A' ' 10' ' ' LEU . 3.6 p -45.65 -43.57 12.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.47 -22.93 1.82 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 11' ' ' LEU . . . -83.91 -40.06 19.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.4 m -71.8 -45.63 60.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.947 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 6' ' ' SER . 2.3 mp -45.57 -34.06 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HA ' HD11 ' A' ' 19' ' ' LEU . 4.7 mt -63.75 -40.83 97.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -83.07 -50.29 8.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.369 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.85 -56.05 21.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -105.01 153.36 39.48 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.03 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.5 Cg_endo -74.95 -26.06 11.38 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.18 -3.59 43.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.3 mttt -128.67 5.77 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.925 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.6 mt -87.59 110.95 20.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 56.2 m-85 -131.6 142.41 49.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' CG ' HD23 ' A' ' 41' ' ' LEU . 4.7 tt0 -106.1 169.57 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.95 108.91 17.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -48.07 -45.56 32.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -146.35 173.02 12.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.57 93.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.14 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 24.6 t80 -76.93 141.2 40.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.72 128.38 54.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.98 128.69 22.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.19 -47.09 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 10.7 pt20 -111.39 -175.18 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -77.53 -16.23 58.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' PHE . 94.7 mt -92.75 -9.57 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 31.3 m-20 -95.1 152.6 18.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG13 ' CA ' ' A' ' 66' ' ' GLY . 1.1 m -140.68 135.09 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.3 p -50.96 135.73 24.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 59' ' ' ILE . 75.2 mt -137.36 150.1 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 1.2 mm? -98.46 137.93 36.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 11.1 pt-20 -47.37 -21.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.03 -26.61 11.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 37' ' ' LEU . 42.2 m-20 -52.96 138.98 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 42' ' ' VAL . 2.0 tm? -106.82 152.95 23.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.739 ' N ' HD13 ' A' ' 41' ' ' LEU . 15.1 m -150.11 161.4 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -121.96 103.52 0.86 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 ' HA ' HG22 ' A' ' 59' ' ' ILE . 3.9 t -37.87 132.76 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 18.6 mt -115.52 -56.61 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.35 147.72 44.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 57' ' ' TRP . 1.3 mttp -105.13 18.63 22.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.85 179.61 7.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.27 166.21 15.08 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' O ' ' CG ' ' A' ' 51' ' ' MET . 18.3 Cg_endo -75.02 61.25 5.65 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -169.86 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.82 64.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -141.59 91.05 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -19.99 58.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.21 -35.4 73.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.31 137.23 44.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.497 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 51.1 m0 -115.33 161.08 19.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.622 HD23 ' CD1' ' A' ' 67' ' ' PHE . 1.2 tm? -107.97 132.7 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.7 ' C ' HD12 ' A' ' 59' ' ' ILE . 1.8 pp -132.43 160.36 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -117.42 125.19 50.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 63' ' ' VAL . 38.9 p-10 -93.17 41.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 48.18 23.88 3.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 61' ' ' ASN . 79.0 t -142.59 -50.58 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.4 t -148.33 -161.74 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.407 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.565 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -119.29 120.84 38.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' CA ' HG13 ' A' ' 34' ' ' VAL . . . -126.43 143.53 14.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.622 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.4 m-85 -103.17 122.23 44.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 111.049 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.14 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 23.2 m -141.45 157.03 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 72' ' ' PHE . 30.8 m-85 -79.08 126.6 30.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.478 ' HB3' ' CE3' ' A' ' 57' ' ' TRP . 13.7 p -40.72 -28.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.1 OUTLIER -57.09 -47.15 81.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' TYR . 11.6 m-85 -71.69 -4.69 28.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD11 HG23 ' A' ' 68' ' ' VAL . 83.2 mt -111.35 165.31 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -136.16 148.95 66.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 100.54 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.513 ' CD1' HD21 ' A' ' 41' ' ' LEU . 22.9 t80 -49.62 -179.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -165.14 94.33 0.89 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.9 7.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -78.94 77.96 5.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -161.47 51.24 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.78 77.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 t60 52.61 175.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.3 p -116.57 104.32 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -179.91 159.58 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.09 176.65 8.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 p -115.49 -59.44 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.57 171.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.9 172.33 15.47 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -167.45 152.08 6.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.9 p -167.65 -61.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -86.16 123.36 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 -66.93 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' GLY . . . -71.48 -50.75 19.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -38.7 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.762 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -42.58 91.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' LEU . . . -56.49 -26.24 51.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.145 . . . . 0.0 111.025 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.54 -40.59 11.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' ALA . 1.1 m -67.14 -37.34 83.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD1' ' O ' ' A' ' 41' ' ' LEU . 26.1 mt -46.67 -34.36 5.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HA ' HD11 ' A' ' 19' ' ' LEU . 6.0 mp -57.97 -40.27 80.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -87.88 -43.65 11.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.43 67.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -126.02 159.7 60.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.0 168.55 24.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.487 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 -22.07 15.13 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -3.4 45.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' VAL . 29.9 mttt -132.42 10.44 4.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.898 HD11 ' HA ' ' A' ' 11' ' ' LEU . 8.8 mt -87.91 110.12 20.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 37.6 m-85 -129.43 141.6 50.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.681 ' HG3' HD12 ' A' ' 41' ' ' LEU . 19.2 tt0 -104.01 164.92 11.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -85.1 107.46 17.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.77 -51.31 66.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -138.97 171.06 14.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 38' ' ' GLU . 0.8 OUTLIER -61.91 93.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.039 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 23.1 t80 -71.46 135.26 47.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 111.038 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.99 120.97 43.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 125.76 22.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.2 -42.7 4.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' CG ' ' OD1' ' A' ' 33' ' ' ASP . 12.8 pt20 -107.72 -175.37 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -25.36 40.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.6 mt -83.81 -9.51 58.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' OD1' ' CG ' ' A' ' 30' ' ' GLN . 15.1 m-20 -95.79 153.47 17.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.01 137.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 p -53.25 150.17 6.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 61' ' ' ASN . 28.0 mt -150.13 153.18 35.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 14.8 mt -100.05 135.69 41.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HG2' ' ND2' ' A' ' 25' ' ' ASN . 8.9 pt-20 -51.92 -20.59 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.51 -14.38 44.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 37' ' ' LEU . 38.1 m-20 -77.19 146.55 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.734 HD21 HD22 ' A' ' 19' ' ' LEU . 2.6 tp -115.21 153.57 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 59' ' ' ILE . 16.0 m -143.96 164.04 14.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -121.48 96.38 0.59 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.93 ' HA ' HG22 ' A' ' 59' ' ' ILE . 9.8 p -45.6 134.04 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 22.6 mt -105.01 -58.0 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -108.92 148.46 30.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HA ' ' CD1' ' A' ' 57' ' ' TRP . 87.6 mttt -106.74 20.43 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -168.77 146.88 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.43 160.86 55.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 66.53 5.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -167.44 -56.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 147.26 64.24 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.5 m -154.63 93.81 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.07 -0.57 36.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.93 -23.73 62.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' CD ' ' HB3' ' A' ' 67' ' ' PHE . 15.2 ttp-105 -118.26 136.26 53.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.252 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.583 ' CD1' ' HA ' ' A' ' 47' ' ' LYS . 50.7 m0 -116.01 146.92 41.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 107.993 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.689 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -91.68 128.28 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.93 HG22 ' HA ' ' A' ' 44' ' ' VAL . 1.2 pp -128.66 166.41 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' N ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -123.04 125.66 45.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.659 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.0 p-10 -89.14 44.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 47.18 24.62 2.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.14 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.8 t -144.79 -48.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.406 ' O ' ' CG ' ' A' ' 60' ' ' ASP . 13.4 t -146.8 -161.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -117.46 120.8 39.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.76 146.11 16.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CD1' HD23 ' A' ' 58' ' ' LEU . 6.7 m-85 -103.68 125.3 50.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.039 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 30.3 m -141.88 157.02 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' C ' ' N ' ' A' ' 71' ' ' SER . 42.8 m-85 -84.38 131.77 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 73' ' ' LEU . 18.6 p -42.95 -27.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -55.83 -56.48 20.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -67.19 -7.71 25.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.75 HD11 ' CG2' ' A' ' 68' ' ' VAL . 63.2 mt -108.54 158.91 17.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -135.81 143.7 45.63 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.58 2.96 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -66.33 -179.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -166.87 90.9 0.75 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.72 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -64.09 -11.65 31.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.75 145.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.96 128.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -48.17 121.88 4.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 p -156.7 138.25 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -173.27 122.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.68 96.86 3.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.222 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.47 87.34 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.946 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 82.8 p -172.65 129.61 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.39 70.9 0.3 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.86 32.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.8 p -112.6 119.07 36.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.89 144.37 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -145.61 159.76 42.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 p -51.81 -57.61 8.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -65.1 1.57 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -46.16 -45.54 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' SER . 7.8 t -61.41 -52.46 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.703 ' HA2' HD12 ' A' ' 10' ' ' LEU . . . -47.2 -37.36 10.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 11' ' ' LEU . . . -76.82 -30.41 56.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' SER . 19.9 m -72.41 -35.22 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.703 HD12 ' HA2' ' A' ' 7' ' ' GLY . 51.4 mt -49.51 -27.61 4.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.888 ' HA ' HD11 ' A' ' 19' ' ' LEU . 3.7 mp -69.31 -37.37 77.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 9' ' ' SER . . . -84.79 -39.51 18.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -56.22 14.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -102.57 156.12 35.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.0 169.74 21.97 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HD12 ' A' ' 19' ' ' LEU . 18.2 Cg_endo -75.01 -22.84 14.36 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -81.63 -3.17 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -129.45 6.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.888 HD11 ' HA ' ' A' ' 11' ' ' LEU . 7.9 mt -87.82 110.36 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.666 ' CD2' HG23 ' A' ' 44' ' ' VAL . 64.8 m-85 -128.99 137.62 51.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -104.95 168.58 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -83.62 120.15 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 74' ' ' LYS . 1.6 mt-10 -64.38 -45.25 88.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.0 170.84 14.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.353 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -61.87 92.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.028 ' CZ ' HG12 ' A' ' 68' ' ' VAL . 13.4 t80 -72.93 138.46 46.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -115.97 128.51 55.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.85 125.05 20.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.0 -38.91 5.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CG ' ' CG ' ' A' ' 33' ' ' ASP . 7.1 pt20 -114.83 -174.51 2.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.274 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.11 -20.18 42.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.6 mt -88.45 -9.55 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 42.3 m-20 -93.63 160.58 14.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' ' C ' ' A' ' 33' ' ' ASP . 1.3 m -150.1 135.43 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.2 p -52.05 142.66 15.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 59' ' ' ILE . 81.2 mt -144.3 152.24 40.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 17.3 mt -100.18 138.95 36.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' O ' ' A' ' 22' ' ' ALA . 4.6 pt-20 -48.38 -21.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.2 -25.0 13.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 37' ' ' LEU . 39.3 m-20 -53.92 139.12 34.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 42' ' ' VAL . 1.7 tm? -107.86 153.13 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.823 ' N ' HD13 ' A' ' 41' ' ' LEU . 16.4 m -153.44 163.34 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -123.0 108.42 1.22 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.666 HG23 ' CD2' ' A' ' 20' ' ' PHE . 3.0 t -40.08 131.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.666 ' HB ' HD13 ' A' ' 58' ' ' LEU . 22.9 mt -116.06 -57.45 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -114.15 128.12 56.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.575 ' HE3' HG11 ' A' ' 44' ' ' VAL . 11.4 mttt -91.33 21.91 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.26 161.74 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' NH1' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -90.99 158.68 41.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 62.82 5.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -164.88 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.13 -20.18 1.09 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.86 110.79 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.964 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -95.86 -24.67 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -51.08 -31.89 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 5.6 ttp-105 -104.5 131.76 51.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.455 ' CG ' ' HA ' ' A' ' 47' ' ' LYS . 49.3 m0 -112.66 160.3 18.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 108.002 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.84 HD22 ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -107.58 131.32 54.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 58' ' ' LEU . 1.3 pp -131.47 161.47 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 62' ' ' GLY . 11.0 t70 -116.9 129.66 56.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' HB3' HD21 ' A' ' 36' ' ' LEU . 45.7 p-10 -93.51 33.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' N ' ' OD1' ' A' ' 60' ' ' ASP . . . 57.38 19.15 32.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 72.8 t -139.87 -54.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.2 t -141.92 -169.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.423 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -109.99 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.02 144.88 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 5.5 m-85 -103.16 126.06 50.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.028 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 19.4 m -142.23 151.37 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.437 ' C ' ' N ' ' A' ' 71' ' ' SER . 33.3 m-85 -77.42 125.97 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' TYR . 14.8 p -38.79 -30.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.437 ' N ' ' C ' ' A' ' 69' ' ' TYR . 0.4 OUTLIER -54.75 -54.91 35.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -67.46 -7.67 27.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.001 HD11 HG23 ' A' ' 68' ' ' VAL . 81.3 mt -107.59 159.59 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -136.59 149.85 68.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -75.02 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 77' ' ' ASN . 42.3 t80 -66.96 175.3 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.165 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' N ' ' CG ' ' A' ' 76' ' ' TYR . 1.1 m-20 -149.87 104.1 3.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.448 ' CG ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.05 3.72 5.4 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.55 92.73 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -167.91 33.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.0 p -161.51 172.98 15.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -81.6 129.04 34.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.562 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.8 p -47.68 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 61.9 122.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.79 173.68 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.6 m -73.03 152.28 41.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t -169.93 -58.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -38.61 -64.54 0.86 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.3 38.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 92' ' ' GLY . 22.9 p -136.94 127.03 26.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 m 69.41 -63.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' SER . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 stop_ save_