data_1wi0_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 1wi0 _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 ' 17' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 30' ' ' ASP . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' N ' HG11 ' A' ' 29' ' ' VAL . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' LEU . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' CH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 60' ' ' PHE . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.549 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' VAL . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' HD12 ' A' ' 23' ' ' ILE . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.414 ' CB ' HG22 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.435 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.52 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.406 HD23 ' CE ' ' A' ' 81' ' ' MET . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 30' ' ' ASP . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' C ' ' CE ' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.562 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 52' ' ' LEU . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' A' ' 44' ' ' VAL . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.524 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.511 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 99' ' ' ILE . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.456 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.481 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 99' ' ' ILE . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' CE ' ' A' ' 81' ' ' MET . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.545 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.428 ' C ' ' CE ' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 23' ' ' ILE . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.552 ' CZ ' HG13 ' A' ' 72' ' ' VAL . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.513 HG13 ' CZ ' ' A' ' 62' ' ' TYR . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.428 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.519 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.466 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 95' ' ' ASN . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.479 HG22 ' CG1' ' A' ' 89' ' ' VAL . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' N ' HG21 ' A' ' 99' ' ' ILE . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CG2' HG13 ' A' ' 51' ' ' VAL . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.532 ' CE3' HD13 ' A' ' 19' ' ' ILE . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.543 HG13 ' CE1' ' A' ' 60' ' ' PHE . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 ' CG ' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 23' ' ' ILE . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.499 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.544 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.46 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 99' ' ' ILE . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.449 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 89' ' ' VAL . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 99' ' ' ILE . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 81' ' ' MET . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 23' ' ' ILE . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 19' ' ' ILE . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 31' ' ' TRP . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CE2' HD21 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 23' ' ' ILE . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 44' ' ' VAL . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.535 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' MET . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 91' ' ' GLU . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 92' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.493 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' CG2' HG11 ' A' ' 51' ' ' VAL . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 60' ' ' PHE . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' VAL . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 23' ' ' ILE . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 52' ' ' LEU . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.497 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' ASN . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.516 ' CE2' HG22 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE2' HD23 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 60' ' ' PHE . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 23' ' ' ILE . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.472 ' CB ' HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 44' ' ' VAL . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.426 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.487 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 39' ' ' LEU . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE2' HD22 ' A' ' 45' ' ' LEU . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CE1' ' A' ' 60' ' ' PHE . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.577 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.567 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 23' ' ' ILE . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.591 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.543 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.412 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 104' ' ' ILE . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.567 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' VAL . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 23' ' ' ILE . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.417 ' N ' HG21 ' A' ' 56' ' ' THR . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.484 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.542 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG1' HG22 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.409 ' SD ' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' THR . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 98' ' ' LEU . 20.7 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.49 HG22 ' CG1' ' A' ' 89' ' ' VAL . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' OH ' ' A' ' 85' ' ' TYR . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 19' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' HB3' ' CG1' ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CZ2' HG23 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' O ' ' A' ' 58' ' ' THR . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 23' ' ' ILE . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.56 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.472 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 92' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.535 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CE3' HD11 ' A' ' 19' ' ' ILE . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' HD23 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 23' ' ' ILE . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 52' ' ' LEU . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.515 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.531 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.503 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 90' ' ' MET . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' CB ' HD12 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD13 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.466 HG21 ' CG1' ' A' ' 89' ' ' VAL . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 85' ' ' TYR . 14.1 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' ARG . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 52' ' ' LEU . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 73' ' ' ARG . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE1' HG13 ' A' ' 44' ' ' VAL . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.451 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.452 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.556 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 17' ' ' LEU . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.454 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 85' ' ' TYR . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 89' ' ' VAL . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' C ' ' CE ' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 72' ' ' VAL . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' VAL . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 23' ' ' ILE . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' THR . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' HG21 ' A' ' 57' ' ' THR . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 41' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.451 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG1' HG21 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.495 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.411 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.424 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 30' ' ' ASP . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.404 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' CE ' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG11 ' CG ' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' VAL . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 23' ' ' ILE . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 52' ' ' LEU . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 58' ' ' THR . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 44' ' ' VAL . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.573 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 41' ' ' PHE . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.428 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.439 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.469 HG22 ' CG1' ' A' ' 89' ' ' VAL . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 60' ' ' PHE . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.538 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 23' ' ' ILE . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CE2' HG12 ' A' ' 44' ' ' VAL . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.404 ' H ' ' CG2' ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.412 ' CG ' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 95' ' ' ASN . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.473 HG23 ' CG1' ' A' ' 89' ' ' VAL . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' N ' HG22 ' A' ' 99' ' ' ILE . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 85' ' ' TYR . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.614 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' CG2' HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CH2' HD12 ' A' ' 39' ' ' LEU . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 58' ' ' THR . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.555 HG13 ' CE1' ' A' ' 60' ' ' PHE . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.545 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 23' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 52' ' ' LEU . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 44' ' ' VAL . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 105' ' ' PHE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 90' ' ' MET . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 95' ' ' ASN . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.487 HG22 ' CG1' ' A' ' 89' ' ' VAL . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.614 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.591 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.54 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NH2' ' HD3' ' A' ' 22' ' ' LYS . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.424 ' CE2' HG23 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 41' ' ' PHE . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 23' ' ' ILE . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 52' ' ' LEU . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.436 ' CA ' HD12 ' A' ' 45' ' ' LEU . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 44' ' ' VAL . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 90' ' ' MET . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 95' ' ' ASN . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 89' ' ' VAL . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.521 HD13 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.552 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 31' ' ' TRP . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 45' ' ' LEU . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 60' ' ' PHE . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.4 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.472 HG22 ' CG1' ' A' ' 89' ' ' VAL . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.571 HD12 ' CE3' ' A' ' 31' ' ' TRP . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' HG12 ' A' ' 23' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 19' ' ' ILE . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 45' ' ' LEU . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 23' ' ' ILE . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.513 ' CZ ' HG12 ' A' ' 44' ' ' VAL . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.504 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.411 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.571 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.495 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 95' ' ' ASN . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 HD22 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 37.2 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 28' ' ' ALA . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD12 ' CH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' ARG . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG12 ' CE1' ' A' ' 60' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.553 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' VAL . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 23' ' ' ILE . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 56' ' ' THR . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.522 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 102' ' ' LEU . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -102.11 104.3 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -74.45 119.93 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.75 66.79 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -74.8 -50.32 17.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p 52.68 75.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.08 98.37 2.27 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.08 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.07 -50.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.81 100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.11 148.32 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 127.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.89 -50.52 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.44 141.18 38.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 161.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.79 169.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp -113.98 147.6 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.533 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 30' ' ' ASP . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' N ' HG11 ' A' ' 29' ' ' VAL . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.549 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 17' ' ' LEU . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' CH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 60' ' ' PHE . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.549 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' VAL . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' HD12 ' A' ' 23' ' ' ILE . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.414 ' CB ' HG22 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.435 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.52 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.414 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.458 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD23 ' CE ' ' A' ' 81' ' ' MET . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 -55.34 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -94.19 129.87 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.43 176.67 16.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -57.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 m -59.32 157.85 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.6 t 178.74 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -151.32 -57.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 154.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 162.94 9.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -107.91 167.62 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 0.739 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -129.84 -57.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.72 96.55 0.75 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.51 121.8 14.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -179.92 142.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.49 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 mtp -123.86 -54.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -112.64 149.2 33.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -133.68 -46.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 158.11 32.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.39 162.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 tp -87.3 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HB2' ' CG ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 30' ' ' ASP . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' N ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.562 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' C ' ' CE ' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.562 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 52' ' ' LEU . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.479 ' CE2' HG11 ' A' ' 44' ' ' VAL . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.524 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.441 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.511 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 99' ' ' ILE . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.456 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.481 HG22 ' CG1' ' A' ' 89' ' ' VAL . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' N ' HG21 ' A' ' 99' ' ' ILE . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.448 HD23 ' CE ' ' A' ' 81' ' ' MET . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.43 108.34 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 p -82.69 104.72 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -176.29 160.1 27.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -177.26 3.35 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.9 p -178.66 112.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 t 60.57 112.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -52.15 144.7 11.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 p -87.73 121.74 30.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.88 -159.83 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.65 -58.42 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.44 163.17 31.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 100.58 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 172.82 15.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.61 116.96 20.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.3 m -60.91 165.53 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.91 149.33 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 ttm -140.16 112.11 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 50.15 88.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 3.4 mt-30 -169.85 163.12 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 15' ' ' GLN . 17.0 m 45.02 -169.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp -104.42 135.65 45.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.545 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.428 ' C ' ' CE ' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.545 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 23' ' ' ILE . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.552 ' CZ ' HG13 ' A' ' 72' ' ' VAL . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.513 HG13 ' CZ ' ' A' ' 62' ' ' TYR . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.428 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.466 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 95' ' ' ASN . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 94' ' ' VAL . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.479 HG22 ' CG1' ' A' ' 89' ' ' VAL . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' N ' HG21 ' A' ' 99' ' ' ILE . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 85.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.3 p -71.5 145.99 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 157.13 28.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 83.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.4 m -79.79 -58.64 3.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -53.8 141.62 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -127.09 105.29 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.68 134.76 2.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -93.28 98.26 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.42 118.15 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.21 31.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.01 41.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -49.31 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 t -173.71 156.22 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.26 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.05 32.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.3 mmt -131.12 124.47 30.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.07 114.64 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.68 -50.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 163.0 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 m -107.96 162.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.515 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp -91.03 144.85 25.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CG2' HG13 ' A' ' 51' ' ' VAL . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.532 ' CE3' HD13 ' A' ' 19' ' ' ILE . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.543 HG13 ' CE1' ' A' ' 60' ' ' PHE . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 ' CG ' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 23' ' ' ILE . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.544 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.499 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.544 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.515 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.46 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.497 ' CG1' HG23 ' A' ' 99' ' ' ILE . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.449 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.497 HG23 ' CG1' ' A' ' 89' ' ' VAL . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 99' ' ' ILE . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD22 ' CE ' ' A' ' 81' ' ' MET . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -96.03 101.61 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 148.59 46.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.53 164.25 37.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.5 p -167.87 145.42 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 127.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -58.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.17 153.77 17.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.13 66.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -123.27 150.11 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -166.91 117.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 156.12 53.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.4 22.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.98 169.76 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -85.14 61.68 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.06 147.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.82 -59.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.77 164.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -62.41 -63.27 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -135.16 139.63 44.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.36 177.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.535 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp -90.4 139.32 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 23' ' ' ILE . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.57 ' CE3' HD12 ' A' ' 19' ' ' ILE . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG21 ' CE2' ' A' ' 31' ' ' TRP . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CE2' HD21 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.554 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 23' ' ' ILE . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 44' ' ' VAL . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.562 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.535 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' CG1' HG21 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' MET . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.468 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 91' ' ' GLU . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 92' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -57.04 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 74.56 135.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.72 -178.76 45.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 66.78 155.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 125.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.51 170.35 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -86.46 174.68 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 -118.76 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -145.69 127.77 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -99.8 179.51 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 93.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.43 141.68 28.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.72 133.26 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.1 -179.76 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -177.07 131.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.51 157.2 46.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 60.75 169.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.43 170.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 m -89.58 158.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 tp -93.73 147.37 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.493 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 28' ' ' ALA . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' CG2' HG11 ' A' ' 51' ' ' VAL . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 60' ' ' PHE . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' VAL . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG1' HD11 ' A' ' 23' ' ' ILE . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 52' ' ' LEU . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.569 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.497 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG22 ' N ' ' A' ' 95' ' ' ASN . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -75.35 85.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -70.84 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.82 146.82 11.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.3 p -177.5 143.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m 63.08 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.91 141.85 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.17 149.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.8 102.15 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -118.13 146.46 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.51 103.17 2.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.95 82.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.89 27.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.27 172.6 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -147.43 165.13 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.87 177.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -56.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.81 86.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.6 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -44.22 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.1 m -117.94 160.23 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp -94.44 145.58 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.516 ' CE2' HG22 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG21 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE2' HD23 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' CE1' ' A' ' 60' ' ' PHE . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' CE2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 23' ' ' ILE . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.472 ' CB ' HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 44' ' ' VAL . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.416 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.566 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.426 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 90' ' ' MET . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.475 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 HD11 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.26 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.3 p -90.05 118.61 29.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.2 166.54 26.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 152.02 39.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.9 m -126.64 -60.42 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -94.69 -59.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -151.99 166.99 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -69.22 97.52 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.69 -99.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -155.75 115.26 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -146.85 99.02 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.4 162.56 49.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.01 4.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.81 112.78 19.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.5 t -62.1 96.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.01 176.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 46.83 86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.69 123.85 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.07 -46.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.17 159.64 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 m -75.58 162.71 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.487 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp -96.38 141.14 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CH2' HD11 ' A' ' 39' ' ' LEU . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE2' HD22 ' A' ' 45' ' ' LEU . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG12 ' CE1' ' A' ' 60' ' ' PHE . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.577 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.567 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 23' ' ' ILE . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.591 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.543 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -72.76 92.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -78.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 57.51 -153.22 24.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.34 150.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.7 p -170.16 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 90.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.54 114.94 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.65 123.22 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -175.96 85.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.8 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.74 119.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.55 -179.67 30.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 89.75 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.41 111.93 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -159.24 -48.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.43 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -142.77 -47.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.24 141.88 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.11 152.95 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.58 161.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.81 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 ' CG2' HD12 ' A' ' 104' ' ' ILE . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HG22 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.567 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' VAL . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 23' ' ' ILE . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.417 ' N ' HG21 ' A' ' 56' ' ' THR . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.484 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.542 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.49 ' CG1' HG22 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.409 ' SD ' ' C ' ' A' ' 90' ' ' MET . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 88' ' ' THR . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.421 ' NE2' ' O ' ' A' ' 98' ' ' LEU . 20.7 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.49 HG22 ' CG1' ' A' ' 89' ' ' VAL . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' OH ' ' A' ' 85' ' ' TYR . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 19' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -38.53 -54.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 t 63.89 150.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.41 166.81 40.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER 39.02 72.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.4 p -100.79 151.44 21.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -141.3 -57.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.86 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.76 123.35 7.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -142.42 -57.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -68.09 146.34 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 150.58 8.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -170.21 145.88 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.12 -67.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.95 119.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtp -162.71 166.25 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.27 109.43 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -173.79 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.71 172.86 12.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.7 m -154.74 -174.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.23 130.47 47.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' HB3' ' CG1' ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.563 ' CZ2' HG23 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.544 ' CZ ' ' O ' ' A' ' 58' ' ' THR . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 23' ' ' ILE . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.56 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.472 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 90' ' ' MET . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.428 ' CG ' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 92' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -85.67 103.87 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -80.63 144.15 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.45 125.22 1.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.81 9.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 77.21 -59.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 p -166.67 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.77 109.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.945 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -59.07 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 121.92 2.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.07 117.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 m -57.66 166.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.49 96.64 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 107.9 2.59 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.77 157.15 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.73 67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.88 175.46 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtt 60.47 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -80.87 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -51.32 125.07 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -39.44 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 m -50.42 158.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp -89.77 147.96 23.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.535 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.442 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CE3' HD11 ' A' ' 19' ' ' ILE . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.461 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' CE2' HD23 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG1' HD13 ' A' ' 23' ' ' ILE . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 52' ' ' LEU . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.515 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.531 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.503 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 90' ' ' MET . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' CB ' HD12 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD13 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 95' ' ' ASN . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.403 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.466 HG21 ' CG1' ' A' ' 89' ' ' VAL . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.25 87.26 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -71.06 140.79 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.31 146.57 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -65.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.35 141.5 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.39 152.29 51.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -92.55 163.75 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -160.32 113.35 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.44 136.63 28.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.41 167.57 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -126.7 145.46 50.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.39 98.08 2.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.7 34.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.48 149.61 29.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.77 154.21 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 148.45 48.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.54 130.11 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' OE2' ' CE2' ' A' ' 86' ' ' TYR . 2.5 mm-40 -95.42 139.73 31.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.39 171.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 63.08 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.86 -179.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 85' ' ' TYR . 14.1 tp -138.65 124.92 20.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CE2' HD21 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' ARG . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.604 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD13 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 52' ' ' LEU . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' CB ' ' HG2' ' A' ' 73' ' ' ARG . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' CE1' HG13 ' A' ' 44' ' ' VAL . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.451 HG13 ' CZ ' ' A' ' 60' ' ' PHE . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.452 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.556 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 17' ' ' LEU . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.472 ' CE2' ' OE2' ' A' ' 13' ' ' GLU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.516 HG22 ' CD2' ' A' ' 85' ' ' TYR . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.431 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' HG13 ' A' ' 89' ' ' VAL . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.44 84.8 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 110.94 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.74 -169.25 18.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.82 39.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.8 p -113.21 121.61 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m 60.02 117.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -178.08 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -123.2 122.66 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 -173.72 32.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.16 144.3 32.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -159.99 147.76 16.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.014 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.15 66.94 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.18 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.07 89.21 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.68 -69.28 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.328 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.92 109.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.09 167.39 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.65 90.13 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -178.46 167.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 67.32 148.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 17' ' ' LEU . 3.1 m 43.99 -166.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' N ' HG21 ' A' ' 16' ' ' VAL . 3.6 tp -113.6 137.51 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.495 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.52 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' C ' ' CE ' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CD1' HG13 ' A' ' 72' ' ' VAL . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' VAL . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 23' ' ' ILE . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' THR . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' HG21 ' A' ' 57' ' ' THR . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.413 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.566 HG13 ' CD1' ' A' ' 41' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.451 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' N ' ' CG ' ' A' ' 84' ' ' TYR . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG1' HG21 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.503 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.495 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.411 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.424 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 -56.53 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 69.0 p -82.17 103.42 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.17 -158.68 18.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.76 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 -56.05 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 m 60.04 157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -172.01 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.9 90.93 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.28 -168.85 31.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.88 131.63 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -166.88 120.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.7 155.55 53.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.23 25.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.91 143.91 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -167.36 98.73 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.2 126.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.52 129.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -166.3 65.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 t30 64.26 95.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.47 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 1.6 tt0 177.13 164.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 15' ' ' GLN . 16.8 m 45.09 -169.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp -105.4 137.25 43.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 30' ' ' ASP . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CZ3' ' HA ' ' A' ' 44' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' CE ' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG11 ' CG ' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' VAL . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 23' ' ' ILE . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 52' ' ' LEU . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 58' ' ' THR . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' HG11 ' A' ' 44' ' ' VAL . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.573 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 41' ' ' PHE . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.428 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.439 ' CE ' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' CZ ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.436 ' CZ ' HD23 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.469 HG22 ' CG1' ' A' ' 89' ' ' VAL . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.74 92.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.6 p -72.27 101.58 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.91 165.54 37.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 149.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -174.09 82.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.44 124.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.85 123.41 5.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.4 86.89 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -164.03 133.13 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -114.41 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.28 98.31 1.84 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.68 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.12 138.91 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.24 143.88 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 ttt -139.32 92.36 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.05 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -179.94 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -147.34 168.29 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -81.93 156.23 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.28 142.41 27.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.502 ' CD2' HG11 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 60' ' ' PHE . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.538 HD23 ' CE2' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG11 ' CD2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD13 ' A' ' 23' ' ' ILE . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.41 HG21 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' O ' HG21 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.518 ' CE2' HG12 ' A' ' 44' ' ' VAL . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 61' ' ' GLU . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.404 ' H ' ' CG2' ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.552 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' CG ' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 95' ' ' ASN . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.473 HG23 ' CG1' ' A' ' 89' ' ' VAL . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' N ' HG22 ' A' ' 99' ' ' ILE . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 85' ' ' TYR . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.84 94.48 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 p -74.42 135.01 42.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.86 166.22 29.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m 61.0 100.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -84.55 -58.78 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 110.46 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.74 94.46 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 144.19 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.4 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.74 157.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.26 104.72 2.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.16 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.02 95.25 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m 62.42 77.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 108.319 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.54 -59.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -68.31 164.64 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.93 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -90.97 150.74 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.24 171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.1 m -86.84 165.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp -96.21 144.44 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.614 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' CG ' ' HB2' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' CG2' HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.559 ' CH2' HD12 ' A' ' 39' ' ' LEU . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD12 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' CZ ' ' O ' ' A' ' 58' ' ' THR . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG13 ' CE1' ' A' ' 60' ' ' PHE . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.545 HG22 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 23' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 52' ' ' LEU . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' OG1' ' CA ' ' A' ' 108' ' ' SER . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CE1' HG13 ' A' ' 44' ' ' VAL . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 105' ' ' PHE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG11 ' N ' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.483 ' CE ' ' O ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 90' ' ' MET . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 95' ' ' ASN . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 94' ' ' VAL . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.487 HG22 ' CG1' ' A' ' 89' ' ' VAL . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.614 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -42.88 -63.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.406 ' CA ' ' OG1' ' A' ' 57' ' ' THR . 23.1 t 65.47 148.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.79 156.72 17.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 72.37 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 m -118.61 168.62 10.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.7 -73.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m 48.57 79.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.11 104.33 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 147.16 17.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.51 84.62 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -169.58 149.37 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.95 -116.18 5.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.4 17.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.66 -52.21 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -150.82 139.98 21.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.27 127.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -144.16 138.74 28.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.15 137.87 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -49.58 -52.4 30.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.8 169.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.15 176.5 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.591 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp -97.81 130.8 44.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' NH2' ' HD3' ' A' ' 22' ' ' LYS . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.424 ' CE2' HG23 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 HG13 ' CE1' ' A' ' 60' ' ' PHE . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 41' ' ' PHE . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG1' HD13 ' A' ' 23' ' ' ILE . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' N ' HD11 ' A' ' 52' ' ' LEU . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.436 ' CA ' HD12 ' A' ' 45' ' ' LEU . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CE1' HG13 ' A' ' 44' ' ' VAL . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD22 ' CZ ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 90' ' ' MET . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' CG ' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 95' ' ' ASN . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 ' CD1' HG12 ' A' ' 89' ' ' VAL . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' HB2' ' CE1' ' A' ' 85' ' ' TYR . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.24 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.1 p -158.85 157.28 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.31 -179.68 35.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.75 24.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t 67.01 145.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -159.49 126.48 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.3 150.48 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 126.93 2.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -144.75 -56.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -73.55 125.25 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.19 81.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.66 28.21 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.62 48.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 t -173.31 109.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.4 138.6 13.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.229 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.0 mtt -143.36 -61.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.53 154.51 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.04 172.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 20.5 pt20 -165.22 148.9 8.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 15' ' ' GLN . 7.3 m 46.8 -169.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CD1' ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp -115.2 148.48 39.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.521 HD13 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.494 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.552 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.552 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.527 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG23 ' CE2' ' A' ' 31' ' ' TRP . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CE2' HD22 ' A' ' 45' ' ' LEU . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 60' ' ' PHE . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.578 HD22 ' CE2' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.531 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' GLU . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD21 ' CZ ' ' A' ' 86' ' ' TYR . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.4 ' CZ ' HD21 ' A' ' 82' ' ' LEU . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.472 HG22 ' CG1' ' A' ' 89' ' ' VAL . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 -45.28 -60.13 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.1 m 81.19 119.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.18 -154.74 8.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.67 30.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.41 145.37 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -138.2 157.35 46.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.974 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.66 143.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 -95.18 0.65 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p 58.61 168.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 110.066 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -75.9 171.18 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.64 176.6 20.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 68.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.51 121.12 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -76.61 -34.99 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.27 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.9 157.74 15.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptp -177.92 51.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.05 67.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t30 179.18 161.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.19 171.15 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.76 160.57 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD11 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp -84.04 147.24 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.571 HD12 ' CE3' ' A' ' 31' ' ' TRP . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HA ' HG12 ' A' ' 23' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CE3' HD12 ' A' ' 19' ' ' ILE . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE2' HD21 ' A' ' 45' ' ' LEU . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG23 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' CG1' HD13 ' A' ' 23' ' ' ILE . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.513 ' CZ ' HG12 ' A' ' 44' ' ' VAL . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.504 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.411 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.571 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.495 ' O ' ' CG2' ' A' ' 89' ' ' VAL . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 95' ' ' ASN . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.43 ' N ' HG21 ' A' ' 94' ' ' VAL . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 HD22 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 37.2 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 p -108.03 -59.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.32 -178.22 16.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -88.23 158.07 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -51.95 164.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.72 -58.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 153.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.05 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 -148.06 7.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -166.21 89.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -73.3 -58.29 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.7 158.9 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 117.81 8.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -126.44 147.68 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.92 173.05 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.81 -71.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.47 176.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.42 -54.23 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.89 155.53 28.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.03 160.56 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD13 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp -107.07 144.98 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 28' ' ' ALA . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' LEU . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD12 ' CH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CE2' HD23 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 42' ' ' ARG . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG12 ' CE1' ' A' ' 60' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.584 HD23 ' CE2' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.553 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' VAL . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 23' ' ' ILE . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 56' ' ' THR . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 72' ' ' VAL . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.528 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.522 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' CE2' HD13 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' HG ' ' CG2' ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 102' ' ' LEU . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 99.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 p -83.01 116.15 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.86 -173.98 37.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 m -96.71 117.29 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t 60.78 146.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.956 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' TRP . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' A' ' 78' ' ' MET . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.956 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 57' ' ' THR . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.927 HG12 HD12 ' A' ' 52' ' ' LEU . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 57' ' ' THR . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 HD13 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 70' ' ' ILE . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 78' ' ' MET . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 71' ' ' THR . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.597 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.645 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.645 ' OH ' HD22 ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.833 ' HG2' HD11 ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 82' ' ' LEU . 4.5 tp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.569 ' HB3' ' NE ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.877 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 31' ' ' TRP . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.726 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.877 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.422 HG21 ' HB ' ' A' ' 57' ' ' THR . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 52' ' ' LEU . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' HB ' HG21 ' A' ' 48' ' ' ILE . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.53 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.685 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.685 ' H ' HG22 ' A' ' 70' ' ' ILE . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.554 HG11 ' HG2' ' A' ' 78' ' ' MET . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 71' ' ' THR . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.554 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.813 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.93 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.93 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 19' ' ' ILE . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.697 HD12 HG21 ' A' ' 33' ' ' VAL . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' THR . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 31' ' ' TRP . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' ' HE1' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.715 ' O ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.474 HG21 ' HB3' ' A' ' 106' ' ' PRO . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 52' ' ' LEU . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 51' ' ' VAL . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.409 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.726 ' CG ' HD11 ' A' ' 70' ' ' ILE . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.726 HD11 ' CG ' ' A' ' 64' ' ' ASP . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 78' ' ' MET . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.54 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.861 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.871 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 90' ' ' MET . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.871 HD11 ' HG2' ' A' ' 93' ' ' GLN . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.415 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.795 HD12 HG21 ' A' ' 33' ' ' VAL . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.882 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.795 HG21 HD12 ' A' ' 19' ' ' ILE . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' A' ' 78' ' ' MET . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.882 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.541 ' C ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 51' ' ' VAL . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 57' ' ' THR . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.675 ' CG ' HD11 ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 78' ' ' MET . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.719 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.812 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.838 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.657 ' HA ' HG22 ' A' ' 94' ' ' VAL . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.933 HD11 ' HG2' ' A' ' 93' ' ' GLN . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.937 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' THR . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 19' ' ' ILE . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.677 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.617 ' O ' HD22 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.937 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.855 HG12 HD12 ' A' ' 52' ' ' LEU . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.855 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 70' ' ' ILE . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.698 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.698 ' H ' HG22 ' A' ' 70' ' ' ILE . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 78' ' ' MET . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 71' ' ' THR . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.6 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.686 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.6 HG13 HD12 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.677 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.828 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.828 HD11 ' HG2' ' A' ' 93' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.8 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NH2' ' HG3' ' A' ' 101' ' ' PRO . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 104' ' ' ILE . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 57' ' ' THR . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 52' ' ' LEU . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 57' ' ' THR . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 48' ' ' ILE . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.666 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 78' ' ' MET . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.499 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.701 ' CE2' HD12 ' A' ' 17' ' ' LEU . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.686 ' O ' HG13 ' A' ' 94' ' ' VAL . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.83 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.83 HD11 ' HG2' ' A' ' 93' ' ' GLN . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.665 HG23 ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 30' ' ' ASP . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HE ' ' CB ' ' A' ' 28' ' ' ALA . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 18' ' ' VAL . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.933 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG22 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.776 ' O ' HD22 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.933 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.66 HG21 HG21 ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 52' ' ' LEU . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 51' ' ' VAL . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 57' ' ' THR . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.66 HG21 HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 78' ' ' MET . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.658 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.848 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.619 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' HG22 ' A' ' 94' ' ' VAL . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.7 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 90' ' ' MET . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.854 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 99' ' ' ILE . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 106' ' ' PRO . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.422 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.963 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' THR . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.708 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.727 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.963 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 52' ' ' LEU . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 51' ' ' VAL . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 57' ' ' THR . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' THR . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.684 ' H ' HG22 ' A' ' 70' ' ' ILE . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.727 HG12 ' CE1' ' A' ' 41' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.688 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 ' OH ' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.871 ' OH ' HD22 ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 94' ' ' VAL . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.855 ' HG2' HD11 ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.855 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 104' ' ' ILE . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.587 HD12 HG21 ' A' ' 33' ' ' VAL . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 104' ' ' ILE . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.893 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' THR . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 31' ' ' TRP . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.76 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.893 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG21 ' HB ' ' A' ' 57' ' ' THR . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 52' ' ' LEU . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 51' ' ' VAL . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 71' ' ' THR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 78' ' ' MET . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.691 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.619 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 17' ' ' LEU . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.619 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.866 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.634 ' HA ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 99' ' ' ILE . 40.9 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.827 HD11 ' HG2' ' A' ' 93' ' ' GLN . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 21' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.576 ' HB3' HG13 ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.97 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' TRP . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.757 HD11 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HE2' ' A' ' 78' ' ' MET . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' O ' HD22 ' A' ' 45' ' ' LEU . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 52' ' ' LEU . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 51' ' ' VAL . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 71' ' ' THR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' ILE . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HG2' ' A' ' 78' ' ' MET . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.645 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.693 HD22 ' OH ' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.693 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 99' ' ' ILE . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.896 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.493 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.761 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 90' ' ' MET . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HG2' ' A' ' 93' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' A' ' 21' ' ' ILE . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.965 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 39' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CH2' ' A' ' 31' ' ' TRP . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 78' ' ' MET . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' ASP . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.965 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 52' ' ' LEU . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.758 ' CG ' HD11 ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' CG ' ' A' ' 64' ' ' ASP . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.725 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 78' ' ' MET . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.679 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.584 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.584 ' OH ' HD22 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.817 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.832 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.507 ' CB ' HD13 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 90' ' ' MET . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.511 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.508 HD23 ' HA2' ' A' ' 36' ' ' GLY . 14.1 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.517 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CE2' HG21 ' A' ' 47' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.728 ' O ' HD22 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CE2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 55' ' ' ALA . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.678 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.445 HG11 ' HG2' ' A' ' 78' ' ' MET . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.453 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.583 ' CE ' HD21 ' A' ' 102' ' ' LEU . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.804 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 89' ' ' VAL . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.804 ' OH ' HD22 ' A' ' 82' ' ' LEU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 99' ' ' ILE . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.835 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 90' ' ' MET . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.583 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 33' ' ' VAL . 3.6 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 33' ' ' VAL . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HG22 ' A' ' 23' ' ' ILE . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' THR . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 17' ' ' LEU . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 31' ' ' TRP . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' HE1' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 ' CE2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG21 HG21 ' A' ' 57' ' ' THR . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 52' ' ' LEU . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.62 HG21 HG21 ' A' ' 48' ' ' ILE . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.668 HG22 ' H ' ' A' ' 71' ' ' THR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.668 ' H ' HG22 ' A' ' 70' ' ' ILE . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.543 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' OH ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.835 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.835 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 102' ' ' LEU . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.423 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CE2' HG21 ' A' ' 47' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG11 HD23 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 31' ' ' TRP . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.75 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 57' ' ' THR . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 HD12 ' A' ' 52' ' ' LEU . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 57' ' ' THR . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 HG21 ' A' ' 48' ' ' ILE . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' OH ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.741 ' CE2' HD12 ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.699 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.917 ' HG2' HD11 ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 90' ' ' MET . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.917 HD11 ' HG2' ' A' ' 93' ' ' GLN . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' TRP . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.693 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 52' ' ' LEU . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 51' ' ' VAL . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.708 ' H ' HG22 ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 78' ' ' MET . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.616 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.715 ' O ' HG13 ' A' ' 94' ' ' VAL . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 90' ' ' MET . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' HG ' HG23 ' A' ' 104' ' ' ILE . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.695 HG23 HG12 ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.636 ' CG ' ' HB1' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.696 HG21 HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB1' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.972 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' THR . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' TRP . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.857 HD11 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.737 ' O ' HD22 ' A' ' 45' ' ' LEU . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.972 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG11 HG21 ' A' ' 21' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 51' ' ' VAL . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.662 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.662 ' H ' HG22 ' A' ' 70' ' ' ILE . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.761 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.837 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 94' ' ' VAL . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.792 ' HG ' HG23 ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HG ' ' A' ' 102' ' ' LEU . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HE ' ' HB3' ' A' ' 59' ' ' ALA . 7.5 mtm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.618 HG12 HD23 ' A' ' 102' ' ' LEU . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.761 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 32' ' ' THR . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD11 ' CH2' ' A' ' 31' ' ' TRP . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' ' HE2' ' A' ' 78' ' ' MET . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.415 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.761 HG21 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 52' ' ' LEU . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.874 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.874 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 59' ' ' ALA . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 71' ' ' THR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 70' ' ' ILE . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' A' ' 59' ' ' ALA . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.446 ' HE2' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.919 ' SD ' HD21 ' A' ' 102' ' ' LEU . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.766 ' OH ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 99' ' ' ILE . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 94' ' ' VAL . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.853 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.853 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.919 HD21 ' SD ' ' A' ' 81' ' ' MET . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.516 HD12 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HD11 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' HB2' HG22 ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' THR . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG11 HD23 ' A' ' 17' ' ' LEU . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.716 ' CE1' HG12 ' A' ' 72' ' ' VAL . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.887 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 52' ' ' LEU . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 51' ' ' VAL . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.513 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.742 ' H ' HG22 ' A' ' 70' ' ' ILE . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.716 HG12 ' CE1' ' A' ' 41' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.661 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.827 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 90' ' ' MET . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.773 HD11 ' HG2' ' A' ' 93' ' ' GLN . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.505 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.407 HG23 ' HG3' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.894 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 39' ' ' LEU . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 31' ' ' TRP . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.62 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.552 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.894 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 52' ' ' LEU . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 51' ' ' VAL . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 58' ' ' THR . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 70' ' ' ILE . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 71' ' ' THR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.762 ' H ' HG22 ' A' ' 70' ' ' ILE . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.652 HG11 ' HG2' ' A' ' 78' ' ' MET . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.652 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.799 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 94' ' ' VAL . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.908 ' HG2' HD11 ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 90' ' ' MET . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.908 HD11 ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 12.4 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 17' ' ' LEU . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 104' ' ' ILE . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.636 HD13 HD11 ' A' ' 52' ' ' LEU . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.895 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 31' ' ' TRP . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD11 ' HH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 41' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.895 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 57' ' ' THR . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 HD12 ' A' ' 52' ' ' LEU . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD12 HG12 ' A' ' 51' ' ' VAL . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 106' ' ' PRO . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.675 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.661 ' CG ' HD11 ' A' ' 70' ' ' ILE . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 78' ' ' MET . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.531 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.523 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.661 HD22 ' OH ' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.768 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.661 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.815 ' O ' HG13 ' A' ' 94' ' ' VAL . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.948 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 90' ' ' MET . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.948 HD11 ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 HG13 ' A' ' 21' ' ' ILE . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -102.11 104.3 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -74.45 119.93 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.75 66.79 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -74.8 -50.32 17.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p 52.68 75.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.08 98.37 2.27 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.08 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.07 -50.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.81 100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.11 148.32 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 127.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.89 -50.52 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.44 141.18 38.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 161.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.79 169.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp -113.98 147.6 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.956 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' TRP . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' A' ' 78' ' ' MET . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.956 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 57' ' ' THR . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.927 HG12 HD12 ' A' ' 52' ' ' LEU . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 57' ' ' THR . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 HD13 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 70' ' ' ILE . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 78' ' ' MET . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 71' ' ' THR . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.597 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.645 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.645 ' OH ' HD22 ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.833 ' HG2' HD11 ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 -55.34 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -94.19 129.87 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.43 176.67 16.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -57.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 m -59.32 157.85 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.6 t 178.74 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -151.32 -57.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 154.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 162.94 9.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -107.91 167.62 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 0.739 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -129.84 -57.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.72 96.55 0.75 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.51 121.8 14.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -179.92 142.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.49 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 mtp -123.86 -54.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -112.64 149.2 33.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -133.68 -46.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 158.11 32.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.39 162.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 82' ' ' LEU . 4.5 tp -87.3 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.569 ' HB3' ' NE ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.877 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 31' ' ' TRP . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.726 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.877 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.422 HG21 ' HB ' ' A' ' 57' ' ' THR . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 52' ' ' LEU . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' HB ' HG21 ' A' ' 48' ' ' ILE . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.812 HG21 ' OG ' ' A' ' 111' ' ' SER . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.53 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.685 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.685 ' H ' HG22 ' A' ' 70' ' ' ILE . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.554 HG11 ' HG2' ' A' ' 78' ' ' MET . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 71' ' ' THR . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.554 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.813 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.93 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.93 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 19' ' ' ILE . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.43 108.34 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 p -82.69 104.72 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -176.29 160.1 27.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -177.26 3.35 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.812 ' OG ' HG21 ' A' ' 58' ' ' THR . 96.9 p -178.66 112.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 t 60.57 112.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -52.15 144.7 11.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 p -87.73 121.74 30.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.88 -159.83 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.65 -58.42 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.44 163.17 31.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 100.58 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 172.82 15.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.61 116.96 20.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.3 m -60.91 165.53 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.91 149.33 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 ttm -140.16 112.11 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 50.15 88.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 16' ' ' VAL . 3.4 mt-30 -169.85 163.12 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 ' C ' ' A' ' 15' ' ' GLN . 17.0 m 45.02 -169.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp -104.42 135.65 45.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.697 HD12 HG21 ' A' ' 33' ' ' VAL . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' THR . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 31' ' ' TRP . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' ' HE1' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.715 ' O ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.474 HG21 ' HB3' ' A' ' 106' ' ' PRO . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 52' ' ' LEU . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 51' ' ' VAL . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.409 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.726 ' CG ' HD11 ' A' ' 70' ' ' ILE . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.726 HD11 ' CG ' ' A' ' 64' ' ' ASP . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 78' ' ' MET . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.54 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.861 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.871 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 90' ' ' MET . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.871 HD11 ' HG2' ' A' ' 93' ' ' GLN . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.415 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 85.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.3 p -71.5 145.99 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 157.13 28.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 83.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.4 m -79.79 -58.64 3.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -53.8 141.62 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -127.09 105.29 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.68 134.76 2.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -93.28 98.26 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.42 118.15 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.21 31.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.01 41.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -49.31 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 t -173.71 156.22 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.26 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.05 32.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.3 mmt -131.12 124.47 30.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.07 114.64 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.68 -50.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 163.0 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 m -107.96 162.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp -91.03 144.85 25.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.795 HD12 HG21 ' A' ' 33' ' ' VAL . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.882 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.795 HG21 HD12 ' A' ' 19' ' ' ILE . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' A' ' 78' ' ' MET . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.882 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.541 ' C ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 51' ' ' VAL . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 57' ' ' THR . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.675 ' CG ' HD11 ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 78' ' ' MET . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.719 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.812 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.838 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.657 ' HA ' HG22 ' A' ' 94' ' ' VAL . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.933 HD11 ' HG2' ' A' ' 93' ' ' GLN . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -96.03 101.61 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 148.59 46.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.53 164.25 37.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.5 p -167.87 145.42 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 127.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -58.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.17 153.77 17.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.13 66.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -123.27 150.11 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -166.91 117.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 156.12 53.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.4 22.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.98 169.76 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -85.14 61.68 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.06 147.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.82 -59.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.77 164.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -62.41 -63.27 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -135.16 139.63 44.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.36 177.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp -90.4 139.32 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.937 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' THR . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 19' ' ' ILE . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.677 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.617 ' O ' HD22 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.937 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.855 HG12 HD12 ' A' ' 52' ' ' LEU . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.855 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 70' ' ' ILE . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.698 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.698 ' H ' HG22 ' A' ' 70' ' ' ILE . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 78' ' ' MET . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 71' ' ' THR . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.6 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.686 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.6 HG13 HD12 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.677 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.828 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.828 HD11 ' HG2' ' A' ' 93' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -57.04 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 74.56 135.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.72 -178.76 45.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 66.78 155.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 125.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.51 170.35 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -86.46 174.68 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 -118.76 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -145.69 127.77 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -99.8 179.51 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 93.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.43 141.68 28.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.72 133.26 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.1 -179.76 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -177.07 131.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.51 157.2 46.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 60.75 169.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.43 170.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 m -89.58 158.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.8 tp -93.73 147.37 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NH2' ' HG3' ' A' ' 101' ' ' PRO . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 104' ' ' ILE . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 57' ' ' THR . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 52' ' ' LEU . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 57' ' ' THR . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 48' ' ' ILE . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.666 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 78' ' ' MET . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.499 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.701 ' CE2' HD12 ' A' ' 17' ' ' LEU . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.686 ' O ' HG13 ' A' ' 94' ' ' VAL . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.83 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.83 HD11 ' HG2' ' A' ' 93' ' ' GLN . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.665 HG23 ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -75.35 85.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' HB1' ' A' ' 55' ' ' ALA . 1.8 t -70.84 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.82 146.82 11.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.3 p -177.5 143.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.449 ' HB2' HG21 ' A' ' 58' ' ' THR . 3.9 m 63.08 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.91 141.85 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.17 149.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.8 102.15 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -118.13 146.46 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.51 103.17 2.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.95 82.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.89 27.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.27 172.6 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -147.43 165.13 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . . . -64.87 177.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -56.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.81 86.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.6 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -44.22 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.1 m -117.94 160.23 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp -94.44 145.58 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 30' ' ' ASP . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HE ' ' CB ' ' A' ' 28' ' ' ALA . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 18' ' ' VAL . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.933 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG22 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.791 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 3.1 m80 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.776 ' O ' HD22 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.933 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.66 HG21 HG21 ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 52' ' ' LEU . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 51' ' ' VAL . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 57' ' ' THR . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.66 HG21 HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 78' ' ' MET . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.658 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.848 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.619 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' HG22 ' A' ' 94' ' ' VAL . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.7 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 90' ' ' MET . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.854 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 99' ' ' ILE . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.26 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.3 p -90.05 118.61 29.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.2 166.54 26.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 152.02 39.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.9 m -126.64 -60.42 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -94.69 -59.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -151.99 166.99 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -69.22 97.52 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.69 -99.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -155.75 115.26 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -146.85 99.02 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.4 162.56 49.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.01 4.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.81 112.78 19.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.5 t -62.1 96.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.01 176.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 46.83 86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.69 123.85 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.07 -46.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.17 159.64 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 m -75.58 162.71 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp -96.38 141.14 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 106' ' ' PRO . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.422 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.963 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' THR . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.708 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.727 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.963 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 52' ' ' LEU . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 51' ' ' VAL . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 57' ' ' THR . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' THR . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.684 ' H ' HG22 ' A' ' 70' ' ' ILE . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.727 HG12 ' CE1' ' A' ' 41' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.688 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 ' OH ' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.871 ' OH ' HD22 ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 94' ' ' VAL . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.855 ' HG2' HD11 ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.855 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 104' ' ' ILE . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -72.76 92.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -78.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 57.51 -153.22 24.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.34 150.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.7 p -170.16 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 90.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.54 114.94 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.65 123.22 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -175.96 85.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.8 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.74 119.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.55 -179.67 30.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 89.75 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.41 111.93 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -159.24 -48.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.43 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -142.77 -47.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.24 141.88 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.11 152.95 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.58 161.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.81 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.587 HD12 HG21 ' A' ' 33' ' ' VAL . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 104' ' ' ILE . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.893 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' THR . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 31' ' ' TRP . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.76 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.893 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG21 ' HB ' ' A' ' 57' ' ' THR . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 52' ' ' LEU . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 51' ' ' VAL . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 71' ' ' THR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 78' ' ' MET . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.691 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.619 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 17' ' ' LEU . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.619 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.866 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.634 ' HA ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 99' ' ' ILE . 40.9 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.827 HD11 ' HG2' ' A' ' 93' ' ' GLN . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 21' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -38.53 -54.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 t 63.89 150.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.41 166.81 40.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER 39.02 72.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.4 p -100.79 151.44 21.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -141.3 -57.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.86 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.76 123.35 7.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -142.42 -57.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -68.09 146.34 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 150.58 8.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -170.21 145.88 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.12 -67.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.95 119.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtp -162.71 166.25 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.27 109.43 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -173.79 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -139.71 172.86 12.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' GLN . 15.7 m -154.74 -174.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.23 130.47 47.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.576 ' HB3' HG13 ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.97 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' TRP . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.757 HD11 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HE2' ' A' ' 78' ' ' MET . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' O ' HD22 ' A' ' 45' ' ' LEU . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 52' ' ' LEU . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 51' ' ' VAL . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 71' ' ' THR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' ILE . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HG2' ' A' ' 78' ' ' MET . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.645 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.693 HD22 ' OH ' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.693 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 99' ' ' ILE . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.896 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.493 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.761 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 90' ' ' MET . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HG2' ' A' ' 93' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -85.67 103.87 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -80.63 144.15 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.45 125.22 1.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.81 9.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 77.21 -59.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 p -166.67 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.77 109.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.945 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -59.07 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 121.92 2.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.07 117.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 m -57.66 166.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.49 96.64 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 107.9 2.59 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.77 157.15 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.73 67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.88 175.46 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtt 60.47 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -80.87 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -51.32 125.07 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -39.44 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 m -50.42 158.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp -89.77 147.96 23.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' A' ' 21' ' ' ILE . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.965 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 39' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CH2' ' A' ' 31' ' ' TRP . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 78' ' ' MET . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' ASP . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.965 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 52' ' ' LEU . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.758 ' CG ' HD11 ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' CG ' ' A' ' 64' ' ' ASP . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.725 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 78' ' ' MET . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.679 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.584 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.584 ' OH ' HD22 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.817 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.832 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.507 ' CB ' HD13 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 90' ' ' MET . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.511 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.25 87.26 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -71.06 140.79 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.31 146.57 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -65.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.35 141.5 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.39 152.29 51.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -92.55 163.75 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -160.32 113.35 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.44 136.63 28.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.41 167.57 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -126.7 145.46 50.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.39 98.08 2.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.7 34.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.48 149.61 29.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.77 154.21 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 148.45 48.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.54 130.11 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' OE2' ' CE2' ' A' ' 86' ' ' TYR . 2.5 mm-40 -95.42 139.73 31.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.39 171.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 63.08 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.86 -179.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD23 ' HA2' ' A' ' 36' ' ' GLY . 14.1 tp -138.65 124.92 20.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.517 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CE2' HG21 ' A' ' 47' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.728 ' O ' HD22 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CE2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 55' ' ' ALA . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.678 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.445 HG11 ' HG2' ' A' ' 78' ' ' MET . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.453 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.583 ' CE ' HD21 ' A' ' 102' ' ' LEU . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.804 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 89' ' ' VAL . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.804 ' OH ' HD22 ' A' ' 82' ' ' LEU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 99' ' ' ILE . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.835 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 90' ' ' MET . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.583 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.44 84.8 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 110.94 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.74 -169.25 18.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.82 39.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.8 p -113.21 121.61 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m 60.02 117.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -178.08 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -123.2 122.66 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 -173.72 32.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.16 144.3 32.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -159.99 147.76 16.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.014 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.15 66.94 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.18 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.07 89.21 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.68 -69.28 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.328 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.92 109.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.09 167.39 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.65 90.13 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -178.46 167.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER 67.32 148.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 15' ' ' GLN . 3.1 m 43.99 -166.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 33' ' ' VAL . 3.6 tp -113.6 137.51 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 33' ' ' VAL . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HG22 ' A' ' 23' ' ' ILE . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' THR . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 17' ' ' LEU . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 31' ' ' TRP . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' HE1' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 ' CE2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG21 HG21 ' A' ' 57' ' ' THR . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 52' ' ' LEU . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.62 HG21 HG21 ' A' ' 48' ' ' ILE . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.668 HG22 ' H ' ' A' ' 71' ' ' THR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.668 ' H ' HG22 ' A' ' 70' ' ' ILE . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.543 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' OH ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.835 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.835 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 102' ' ' LEU . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.423 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 -56.53 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 69.0 p -82.17 103.42 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.17 -158.68 18.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.76 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 -56.05 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 m 60.04 157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -172.01 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.9 90.93 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.28 -168.85 31.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.88 131.63 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -166.88 120.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.7 155.55 53.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.23 25.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.91 143.91 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -167.36 98.73 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.2 126.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.52 129.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -166.3 65.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 t30 64.26 95.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 16' ' ' VAL . 1.6 tt0 177.13 164.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG22 ' C ' ' A' ' 15' ' ' GLN . 16.8 m 45.09 -169.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp -105.4 137.25 43.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CE2' HG21 ' A' ' 47' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG11 HD23 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 31' ' ' TRP . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.75 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 57' ' ' THR . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 HD12 ' A' ' 52' ' ' LEU . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 57' ' ' THR . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 HG21 ' A' ' 48' ' ' ILE . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' OH ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.741 ' CE2' HD12 ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.699 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.917 ' HG2' HD11 ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 90' ' ' MET . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.917 HD11 ' HG2' ' A' ' 93' ' ' GLN . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.74 92.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.6 p -72.27 101.58 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.91 165.54 37.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 149.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -174.09 82.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.44 124.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.85 123.41 5.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.4 86.89 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -164.03 133.13 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -114.41 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.28 98.31 1.84 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.68 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.12 138.91 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -104.24 143.88 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 ttt -139.32 92.36 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.05 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -179.94 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -147.34 168.29 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -81.93 156.23 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.28 142.41 27.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' TRP . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.693 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 52' ' ' LEU . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 51' ' ' VAL . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.708 ' H ' HG22 ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 78' ' ' MET . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.616 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.715 ' O ' HG13 ' A' ' 94' ' ' VAL . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 90' ' ' MET . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' HG ' HG23 ' A' ' 104' ' ' ILE . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.84 94.48 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 p -74.42 135.01 42.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.86 166.22 29.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m 61.0 100.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -84.55 -58.78 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 110.46 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.74 94.46 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 144.19 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.4 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.74 157.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.26 104.72 2.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.16 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.02 95.25 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m 62.42 77.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 108.319 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.54 -59.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -68.31 164.64 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.93 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -90.97 150.74 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.24 171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.1 m -86.84 165.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp -96.21 144.44 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.695 HG23 HG12 ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.636 ' CG ' ' HB1' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.696 HG21 HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB1' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.972 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' THR . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' TRP . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.857 HD11 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.737 ' O ' HD22 ' A' ' 45' ' ' LEU . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.972 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG11 HG21 ' A' ' 21' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 51' ' ' VAL . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.662 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.662 ' H ' HG22 ' A' ' 70' ' ' ILE . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.761 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.837 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 94' ' ' VAL . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.792 ' HG ' HG23 ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HG ' ' A' ' 102' ' ' LEU . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HE ' ' HB3' ' A' ' 59' ' ' ALA . 7.5 mtm180 -42.88 -63.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.406 ' CA ' ' OG1' ' A' ' 57' ' ' THR . 23.1 t 65.47 148.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.79 156.72 17.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 72.37 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 m -118.61 168.62 10.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.7 -73.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m 48.57 79.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.11 104.33 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 147.16 17.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.51 84.62 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -169.58 149.37 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.95 -116.18 5.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.4 17.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.66 -52.21 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -150.82 139.98 21.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.27 127.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -144.16 138.74 28.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.15 137.87 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -49.58 -52.4 30.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.8 169.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.15 176.5 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp -97.81 130.8 44.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.618 HG12 HD23 ' A' ' 102' ' ' LEU . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.761 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 32' ' ' THR . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD11 ' CH2' ' A' ' 31' ' ' TRP . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' ' HE2' ' A' ' 78' ' ' MET . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.415 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.761 HG21 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 52' ' ' LEU . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.874 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.874 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 59' ' ' ALA . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 71' ' ' THR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 70' ' ' ILE . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' A' ' 59' ' ' ALA . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.446 ' HE2' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.919 ' SD ' HD21 ' A' ' 102' ' ' LEU . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.766 ' OH ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 99' ' ' ILE . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 94' ' ' VAL . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.853 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.853 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.919 HD21 ' SD ' ' A' ' 81' ' ' MET . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.24 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.1 p -158.85 157.28 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.31 -179.68 35.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.75 24.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t 67.01 145.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -159.49 126.48 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.3 150.48 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 126.93 2.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -144.75 -56.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -73.55 125.25 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.19 81.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.66 28.21 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.62 48.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 t -173.31 109.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.4 138.6 13.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.229 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.0 mtt -143.36 -61.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.53 154.51 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.04 172.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 16' ' ' VAL . 20.5 pt20 -165.22 148.9 8.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 15' ' ' GLN . 7.3 m 46.8 -169.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp -115.2 148.48 39.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 HD12 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HD11 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' HB2' HG22 ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' THR . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG11 HD23 ' A' ' 17' ' ' LEU . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.716 ' CE1' HG12 ' A' ' 72' ' ' VAL . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.887 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 52' ' ' LEU . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 51' ' ' VAL . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.513 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.742 ' H ' HG22 ' A' ' 70' ' ' ILE . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.716 HG12 ' CE1' ' A' ' 41' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.827 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 90' ' ' MET . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.773 HD11 ' HG2' ' A' ' 93' ' ' GLN . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 -45.28 -60.13 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.1 m 81.19 119.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.18 -154.74 8.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.67 30.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.41 145.37 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -138.2 157.35 46.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.974 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.66 143.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 -95.18 0.65 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p 58.61 168.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 110.066 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -75.9 171.18 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.64 176.6 20.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 68.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.51 121.12 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -76.61 -34.99 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.27 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.9 157.74 15.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptp -177.92 51.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.05 67.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t30 179.18 161.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.19 171.15 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.76 160.57 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp -84.04 147.24 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.505 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.407 HG23 ' HG3' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.894 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 39' ' ' LEU . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 31' ' ' TRP . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.62 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.552 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.894 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 52' ' ' LEU . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 51' ' ' VAL . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 58' ' ' THR . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 70' ' ' ILE . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 71' ' ' THR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.762 ' H ' HG22 ' A' ' 70' ' ' ILE . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.652 HG11 ' HG2' ' A' ' 78' ' ' MET . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.652 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.799 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 94' ' ' VAL . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.908 ' HG2' HD11 ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 90' ' ' MET . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.908 HD11 ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 12.4 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 p -108.03 -59.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.32 -178.22 16.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -88.23 158.07 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -51.95 164.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.72 -58.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 153.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.05 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 -148.06 7.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -166.21 89.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -73.3 -58.29 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.7 158.9 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 117.81 8.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -126.44 147.68 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.92 173.05 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.81 -71.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.47 176.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.42 -54.23 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.89 155.53 28.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.03 160.56 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp -107.07 144.98 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 17' ' ' LEU . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 104' ' ' ILE . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.636 HD13 HD11 ' A' ' 52' ' ' LEU . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.895 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 31' ' ' TRP . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD11 ' HH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 41' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.895 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 57' ' ' THR . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 HD12 ' A' ' 52' ' ' LEU . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD12 HG12 ' A' ' 51' ' ' VAL . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 106' ' ' PRO . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.675 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.661 ' CG ' HD11 ' A' ' 70' ' ' ILE . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 78' ' ' MET . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.531 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.523 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.661 HD22 ' OH ' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.768 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.661 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.815 ' O ' HG13 ' A' ' 94' ' ' VAL . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.948 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 90' ' ' MET . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.948 HD11 ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 HG13 ' A' ' 21' ' ' ILE . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 99.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 p -83.01 116.15 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.86 -173.98 37.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 m -96.71 117.29 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t 60.78 146.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.956 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' TRP . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' A' ' 78' ' ' MET . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.673 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.956 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 57' ' ' THR . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.927 HG12 HD12 ' A' ' 52' ' ' LEU . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 57' ' ' THR . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 HD13 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 70' ' ' ILE . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 78' ' ' MET . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 71' ' ' THR . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.597 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.645 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.645 ' OH ' HD22 ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.833 ' HG2' HD11 ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 82' ' ' LEU . 4.5 tp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.569 ' HB3' ' NE ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.877 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 31' ' ' TRP . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.726 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.877 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.422 HG21 ' HB ' ' A' ' 57' ' ' THR . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 52' ' ' LEU . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' HB ' HG21 ' A' ' 48' ' ' ILE . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.505 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.53 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.685 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.685 ' H ' HG22 ' A' ' 70' ' ' ILE . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.554 HG11 ' HG2' ' A' ' 78' ' ' MET . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 71' ' ' THR . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.554 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.813 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.93 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.93 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 19' ' ' ILE . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.697 HD12 HG21 ' A' ' 33' ' ' VAL . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' THR . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 31' ' ' TRP . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' ' HE1' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.715 ' O ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.474 HG21 ' HB3' ' A' ' 106' ' ' PRO . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 52' ' ' LEU . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 51' ' ' VAL . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.409 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.726 ' CG ' HD11 ' A' ' 70' ' ' ILE . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.726 HD11 ' CG ' ' A' ' 64' ' ' ASP . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 78' ' ' MET . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.54 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.861 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.871 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 90' ' ' MET . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.871 HD11 ' HG2' ' A' ' 93' ' ' GLN . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.415 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.795 HD12 HG21 ' A' ' 33' ' ' VAL . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.882 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.795 HG21 HD12 ' A' ' 19' ' ' ILE . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' A' ' 78' ' ' MET . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.748 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.882 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.541 ' C ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 51' ' ' VAL . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 57' ' ' THR . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.675 ' CG ' HD11 ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 78' ' ' MET . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.719 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.812 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.838 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.657 ' HA ' HG22 ' A' ' 94' ' ' VAL . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.933 HD11 ' HG2' ' A' ' 93' ' ' GLN . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.937 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' THR . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 19' ' ' ILE . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.677 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.617 ' O ' HD22 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.937 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.855 HG12 HD12 ' A' ' 52' ' ' LEU . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.855 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 70' ' ' ILE . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.698 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.698 ' H ' HG22 ' A' ' 70' ' ' ILE . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 78' ' ' MET . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 71' ' ' THR . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.6 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.686 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.6 HG13 HD12 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.677 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.828 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.828 HD11 ' HG2' ' A' ' 93' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.8 tp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NH2' ' HG3' ' A' ' 101' ' ' PRO . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 104' ' ' ILE . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 57' ' ' THR . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 52' ' ' LEU . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 57' ' ' THR . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 48' ' ' ILE . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.666 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 78' ' ' MET . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.499 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.701 ' CE2' HD12 ' A' ' 17' ' ' LEU . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.686 ' O ' HG13 ' A' ' 94' ' ' VAL . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.83 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.83 HD11 ' HG2' ' A' ' 93' ' ' GLN . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.665 HG23 ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 30' ' ' ASP . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HE ' ' CB ' ' A' ' 28' ' ' ALA . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 18' ' ' VAL . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.933 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.502 HG22 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.776 ' O ' HD22 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.933 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.66 HG21 HG21 ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 52' ' ' LEU . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 51' ' ' VAL . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 57' ' ' THR . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.66 HG21 HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 78' ' ' MET . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.658 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.848 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.619 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' HG22 ' A' ' 94' ' ' VAL . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 99' ' ' ILE . 3.4 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 90' ' ' MET . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 94' ' ' VAL . 2.0 m-80 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.854 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 99' ' ' ILE . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 106' ' ' PRO . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.422 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.963 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' THR . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.708 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.727 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.963 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 52' ' ' LEU . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 51' ' ' VAL . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 57' ' ' THR . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' THR . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.684 ' H ' HG22 ' A' ' 70' ' ' ILE . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.727 HG12 ' CE1' ' A' ' 41' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.688 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 ' OH ' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.871 ' OH ' HD22 ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 94' ' ' VAL . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.855 ' HG2' HD11 ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.855 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 104' ' ' ILE . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.587 HD12 HG21 ' A' ' 33' ' ' VAL . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 104' ' ' ILE . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.893 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' THR . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 31' ' ' TRP . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.76 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.893 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.446 HG21 ' HB ' ' A' ' 57' ' ' THR . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 52' ' ' LEU . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 51' ' ' VAL . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 71' ' ' THR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 78' ' ' MET . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.691 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.619 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 17' ' ' LEU . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.619 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.866 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.634 ' HA ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 99' ' ' ILE . 20.7 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.827 HD11 ' HG2' ' A' ' 93' ' ' GLN . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 21' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.576 ' HB3' HG13 ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.97 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' TRP . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.757 HD11 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HE2' ' A' ' 78' ' ' MET . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.681 ' O ' HD22 ' A' ' 45' ' ' LEU . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 52' ' ' LEU . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 51' ' ' VAL . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 71' ' ' THR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' ILE . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HG2' ' A' ' 78' ' ' MET . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.645 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.693 HD22 ' OH ' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.693 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 99' ' ' ILE . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.896 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.493 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.761 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 90' ' ' MET . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HG2' ' A' ' 93' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' A' ' 21' ' ' ILE . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.965 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 39' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CH2' ' A' ' 31' ' ' TRP . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 78' ' ' MET . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' ASP . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.965 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 52' ' ' LEU . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.758 ' CG ' HD11 ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' CG ' ' A' ' 64' ' ' ASP . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.725 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 78' ' ' MET . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.679 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.584 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.584 ' OH ' HD22 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.817 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.832 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.507 ' CB ' HD13 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 90' ' ' MET . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.511 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.508 HD23 ' HA2' ' A' ' 36' ' ' GLY . 14.1 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.517 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CE2' HG21 ' A' ' 47' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.728 ' O ' HD22 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CE2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 55' ' ' ALA . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.678 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.445 HG11 ' HG2' ' A' ' 78' ' ' MET . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.453 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.583 ' CE ' HD21 ' A' ' 102' ' ' LEU . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.804 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 89' ' ' VAL . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.804 ' OH ' HD22 ' A' ' 82' ' ' LEU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 99' ' ' ILE . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.835 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 90' ' ' MET . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.583 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 33' ' ' VAL . 3.6 tp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 33' ' ' VAL . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HG22 ' A' ' 23' ' ' ILE . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' THR . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 17' ' ' LEU . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 31' ' ' TRP . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' HE1' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 ' CE2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HG21 HG21 ' A' ' 57' ' ' THR . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 52' ' ' LEU . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.62 HG21 HG21 ' A' ' 48' ' ' ILE . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.668 HG22 ' H ' ' A' ' 71' ' ' THR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.668 ' H ' HG22 ' A' ' 70' ' ' ILE . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.543 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' OH ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.513 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.835 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.835 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 102' ' ' LEU . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.423 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CE2' HG21 ' A' ' 47' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.603 HG11 HD23 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 31' ' ' TRP . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.75 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 57' ' ' THR . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 HD12 ' A' ' 52' ' ' LEU . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 57' ' ' THR . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 HG21 ' A' ' 48' ' ' ILE . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' OH ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.741 ' CE2' HD12 ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.699 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.917 ' HG2' HD11 ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 90' ' ' MET . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.917 HD11 ' HG2' ' A' ' 93' ' ' GLN . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' TRP . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.693 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 52' ' ' LEU . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 51' ' ' VAL . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.708 ' H ' HG22 ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 78' ' ' MET . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.616 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.715 ' O ' HG13 ' A' ' 94' ' ' VAL . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 90' ' ' MET . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.482 ' HG ' HG23 ' A' ' 104' ' ' ILE . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.695 HG23 HG12 ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.636 ' CG ' ' HB1' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.696 HG21 HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB1' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.972 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' THR . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' TRP . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.857 HD11 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.737 ' O ' HD22 ' A' ' 45' ' ' LEU . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.972 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG11 HG21 ' A' ' 21' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 51' ' ' VAL . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.662 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.662 ' H ' HG22 ' A' ' 70' ' ' ILE . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.761 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.837 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 94' ' ' VAL . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.792 ' HG ' HG23 ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HG ' ' A' ' 102' ' ' LEU . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HE ' ' HB3' ' A' ' 59' ' ' ALA . 7.5 mtm180 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.618 HG12 HD23 ' A' ' 102' ' ' LEU . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.761 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 32' ' ' THR . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD11 ' CH2' ' A' ' 31' ' ' TRP . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' ' HE2' ' A' ' 78' ' ' MET . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.415 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.761 HG21 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 52' ' ' LEU . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.874 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.874 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 59' ' ' ALA . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 71' ' ' THR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 70' ' ' ILE . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' A' ' 59' ' ' ALA . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.446 ' HE2' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.919 ' SD ' HD21 ' A' ' 102' ' ' LEU . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.766 ' OH ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 99' ' ' ILE . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 94' ' ' VAL . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.853 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.853 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.919 HD21 ' SD ' ' A' ' 81' ' ' MET . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.516 HD12 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HD11 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' HB2' HG22 ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' THR . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.52 HG11 HD23 ' A' ' 17' ' ' LEU . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.716 ' CE1' HG12 ' A' ' 72' ' ' VAL . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.887 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 52' ' ' LEU . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 51' ' ' VAL . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.513 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.742 ' H ' HG22 ' A' ' 70' ' ' ILE . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.716 HG12 ' CE1' ' A' ' 41' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.661 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.827 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 90' ' ' MET . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.773 HD11 ' HG2' ' A' ' 93' ' ' GLN . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.457 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.505 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.407 HG23 ' HG3' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.894 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 39' ' ' LEU . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 31' ' ' TRP . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.62 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.552 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.894 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 52' ' ' LEU . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 51' ' ' VAL . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 58' ' ' THR . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 70' ' ' ILE . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 71' ' ' THR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.762 ' H ' HG22 ' A' ' 70' ' ' ILE . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.652 HG11 ' HG2' ' A' ' 78' ' ' MET . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.652 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.799 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 94' ' ' VAL . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.908 ' HG2' HD11 ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 90' ' ' MET . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.908 HD11 ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 37.2 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 17' ' ' LEU . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 104' ' ' ILE . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.636 HD13 HD11 ' A' ' 52' ' ' LEU . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.895 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 31' ' ' TRP . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD11 ' HH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 41' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.895 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 57' ' ' THR . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 HD12 ' A' ' 52' ' ' LEU . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD12 HG12 ' A' ' 51' ' ' VAL . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 106' ' ' PRO . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.675 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.661 ' CG ' HD11 ' A' ' 70' ' ' ILE . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 78' ' ' MET . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.531 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.523 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.661 HD22 ' OH ' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.768 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.661 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.815 ' O ' HG13 ' A' ' 94' ' ' VAL . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.948 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 90' ' ' MET . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.948 HD11 ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 HG13 ' A' ' 21' ' ' ILE . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -102.11 104.3 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -74.45 119.93 19.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.75 66.79 0.97 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -74.8 -50.32 17.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p 52.68 75.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.08 98.37 2.27 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 78.08 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.46 1.768 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.07 -50.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.81 100.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 108.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.11 148.32 22.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.12 127.6 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -81.89 -50.52 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -78.44 141.18 38.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.65 161.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.5 m -62.79 169.9 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.3 tp -113.98 147.6 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 110.17 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.588 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 92.7 mt -95.04 129.66 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -108.09 102.38 11.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -80.36 118.5 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.534 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.3 OUTLIER -69.21 106.41 2.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -84.13 141.06 39.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.0 114.38 4.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m120 46.18 58.98 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.84 36.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.43 -137.39 47.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -152.83 149.76 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.9 t -106.89 144.76 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.1 p-10 -105.16 119.7 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.956 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.7 t90 -93.4 103.05 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.69 100.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.377 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 31' ' ' TRP . 53.5 t -105.91 126.64 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -99.64 -33.31 10.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.14 51.08 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.87 -51.39 4.08 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.483 1.114 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -81.33 52.76 1.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD11 ' HH2' ' A' ' 31' ' ' TRP . 35.4 tp -118.81 141.33 48.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' A' ' 78' ' ' MET . 62.5 mt -114.89 163.38 15.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.6 t80 -61.68 -51.03 70.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 46' ' ' ASP . 14.8 mmt180 -52.48 -49.1 65.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' O ' HG23 ' A' ' 47' ' ' VAL . 2.0 m-20 -42.94 -49.65 5.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.17 -50.92 68.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.365 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.673 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -63.02 -31.61 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' ARG . 1.3 m-20 -68.72 -30.5 69.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.956 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.8 t -84.26 -58.77 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.606 HD13 HG21 ' A' ' 57' ' ' THR . 59.9 mt -44.19 -42.1 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.36 -29.81 7.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -85.44 -25.05 27.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.927 HG12 HD12 ' A' ' 52' ' ' LEU . 60.4 t -80.97 -50.2 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.927 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.57 77.39 27.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -21.29 15.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 5.51 43.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -144.49 106.48 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.488 HG22 ' N ' ' A' ' 57' ' ' THR . 93.1 m -54.37 173.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.606 HG21 HD13 ' A' ' 48' ' ' ILE . 48.7 m -145.98 -74.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 6.3 m 75.39 -55.71 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.9 169.62 14.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.474 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.7 p90 -150.41 164.89 34.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.5 mt-10 -119.7 156.77 29.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -149.09 127.41 12.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 4.2 mt-10 -59.54 134.01 56.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' HB2' HD11 ' A' ' 70' ' ' ILE . 3.8 t70 -97.94 -152.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 11.5 pt-20 -70.14 -38.64 75.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -96.03 19.29 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.02 56.76 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -102.17 2.58 37.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.437 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 15.1 mmt85 55.19 100.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -83.2 176.19 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 70' ' ' ILE . 30.9 m -132.66 133.21 43.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 78' ' ' MET . 46.7 t -114.76 106.23 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG3' HG22 ' A' ' 71' ' ' THR . 76.0 mtm180 -119.18 3.06 11.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' N ' ' A' ' 76' ' ' GLU . 4.9 p -157.06 144.26 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -41.27 -31.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 74' ' ' SER . 9.0 tt0 -55.69 -53.71 53.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.633 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.7 OUTLIER -60.1 -39.35 85.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.597 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.16 -67.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 111.01 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -44.3 -30.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -70.55 -55.34 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 62' ' ' TYR . 51.3 ttp -51.57 -40.85 60.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.645 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.43 -29.99 62.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.04 -24.78 66.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -87.62 -49.81 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.0 t80 -48.47 -46.14 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.645 ' OH ' HD22 ' A' ' 82' ' ' LEU . 17.4 m-30 -72.74 -34.22 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.0 t -70.69 -27.31 63.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.25 -41.66 8.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.376 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 4.8 t -53.28 -55.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -54.02 -27.43 31.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 90' ' ' MET . 53.2 mt-10 -78.29 -30.89 48.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.5 mt-30 -72.35 -20.74 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.258 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.833 ' HG2' HD11 ' A' ' 99' ' ' ILE . 26.5 mt-30 -84.7 -47.21 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 2.9 m -61.64 -29.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.69 -60.46 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.84 -54.7 0.49 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -40.62 152.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.39 155.33 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.833 HD11 ' HG2' ' A' ' 93' ' ' GLN . 41.5 mm -74.27 146.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -107.32 152.65 41.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.05 143.49 28.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 tp -58.41 85.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.1 tt0 -62.77 105.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.588 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 31.7 pt -118.63 157.14 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.534 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 45.3 m-85 -125.74 126.68 24.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.495 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.4 Cg_endo -74.96 96.82 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.798 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 3.2 mtp-105 -55.34 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 106' ' ' PRO . 0.7 OUTLIER -94.19 129.87 40.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.43 176.67 16.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -57.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.503 1.791 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.2 m -59.32 157.85 10.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.6 t 178.74 81.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -151.32 -57.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.55 154.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.65 162.94 9.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -107.91 167.62 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 0.739 . . . . 0.0 110.008 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -129.84 -57.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.72 96.55 0.75 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.7 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -140.51 121.8 14.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -179.92 142.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 54.49 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.0 mtp -123.86 -54.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -112.64 149.2 33.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -133.68 -46.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 158.11 32.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.39 162.54 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 82' ' ' LEU . 4.5 tp -87.3 137.99 31.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.01 110.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.586 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 63.4 mt -97.48 115.87 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 12.3 ttt180 -95.49 103.97 15.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.98 118.7 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.6 OUTLIER -66.11 113.46 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -87.84 141.05 31.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.98 115.37 4.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' PRO . 2.2 m-20 40.25 70.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.18 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.78 -115.05 0.79 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.569 ' HB3' ' NE ' ' A' ' 20' ' ' ARG . . . -175.36 144.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 t -115.98 140.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.32 127.22 44.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.877 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.8 t90 -101.99 103.21 13.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 108.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' THR . 13.2 t -60.0 107.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 31' ' ' TRP . 63.7 t -112.19 119.74 60.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -98.17 -25.95 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.641 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.62 46.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.944 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.28 -52.92 2.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.97 -40.96 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -85.41 46.71 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.6 tp -116.11 144.05 44.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.8 mt -115.01 164.18 14.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.726 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.3 t80 -65.39 -41.54 93.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' ASP . 17.9 mmt-85 -60.94 -46.88 88.92 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -44.55 -48.75 10.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 97.1 t -57.01 -56.95 11.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -56.52 -32.27 64.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -70.64 -29.05 65.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.877 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 23.6 t -82.46 -58.4 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.422 HG21 ' HB ' ' A' ' 57' ' ' THR . 27.8 mt -43.38 -46.42 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.61 -28.41 1.58 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -84.71 -37.82 20.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 52' ' ' LEU . 21.4 t -71.76 -41.4 70.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.497 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -120.96 78.0 31.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -20.72 16.59 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.07 2.59 34.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -147.96 81.04 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -51.47 173.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' HB ' HG21 ' A' ' 48' ' ' ILE . 1.1 m -165.72 140.34 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.812 HG21 ' OG ' ' A' ' 111' ' ' SER . 5.1 m -111.23 -38.4 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.406 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.03 170.7 10.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 19.4 p90 -154.52 145.75 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 51.0 mt-10 -100.68 157.79 16.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.6 p90 -150.31 133.18 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.46 123.05 18.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.53 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -86.31 -154.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -35.04 70.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -97.43 18.78 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.9 57.04 1.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -104.29 4.38 33.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 54.57 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.685 HG22 ' H ' ' A' ' 71' ' ' THR . 5.4 mm -81.83 176.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.685 ' H ' HG22 ' A' ' 70' ' ' ILE . 53.1 m -135.83 114.18 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.554 HG11 ' HG2' ' A' ' 78' ' ' MET . 59.6 t -93.99 99.67 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' HG3' HG22 ' A' ' 71' ' ' THR . 33.5 mtt180 -111.65 16.34 20.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -174.91 158.27 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -49.58 -40.02 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -45.8 -57.26 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.252 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -58.91 -44.99 91.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.554 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -46.2 -69.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.3 -43.06 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.5 -56.85 16.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.573 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.4 ttp -50.46 -40.99 52.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 9.3 mt -73.34 -37.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -60.36 -39.09 85.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -72.56 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.994 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.3 t80 -35.66 -45.96 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.3 m-30 -72.15 -46.55 56.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER -53.86 -30.34 45.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.49 -48.86 5.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.389 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.4 t -46.72 -47.95 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.813 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -58.49 -31.41 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 mm-40 -74.8 -26.44 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.257 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -75.83 -20.46 58.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.93 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -84.84 -43.39 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.813 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -63.62 -31.45 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -59.51 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.43 -47.7 0.67 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.533 1.145 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -39.29 152.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.741 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.96 153.43 40.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.93 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -77.77 143.81 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -103.91 150.99 38.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.96 142.16 27.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.06 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.424 HD23 HG12 ' A' ' 19' ' ' ILE . 14.7 tp -59.42 84.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.2 tt0 -61.88 108.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 37.7 pt -122.4 160.95 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 30.1 m-85 -128.18 128.05 23.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.43 108.34 16.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.3 p -82.69 104.72 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -176.29 160.1 27.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -177.26 3.35 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.534 1.807 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.812 ' OG ' HG21 ' A' ' 58' ' ' THR . 96.9 p -178.66 112.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 29.2 t 60.57 112.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 -179.992 . . . . . . . . 0 0 . 1 . 003 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 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 p -52.15 144.7 11.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 0.736 . . . . 0.0 109.965 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 p -87.73 121.74 30.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.88 -159.83 1.23 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.65 -58.42 1.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.44 163.17 31.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.944 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.15 100.58 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 172.82 15.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.61 116.96 20.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.3 m -60.91 165.53 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.91 149.33 11.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 ttm -140.16 112.11 7.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.1 84.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 50.15 88.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.483 ' C ' HG22 ' A' ' 16' ' ' VAL . 3.4 mt-30 -169.85 163.12 9.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 ' C ' ' A' ' 15' ' ' GLN . 17.0 m 45.02 -169.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.4 tp -104.42 135.65 45.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 55.0 t -123.67 113.89 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.697 HD12 HG21 ' A' ' 33' ' ' VAL . 72.0 mt -94.26 112.03 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -89.44 99.02 12.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -77.23 114.41 17.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.25 120.43 12.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -95.87 141.05 22.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.0 Cg_endo -75.07 114.61 4.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.788 . . . . 0.0 110.946 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.3 m120 39.31 74.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.46 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.06 -129.65 3.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -163.16 149.32 12.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.92 145.56 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.7 p-10 -104.52 120.0 40.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.4 t90 -96.23 104.11 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 32' ' ' THR . 9.7 t -58.11 111.63 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.357 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 31' ' ' TRP . 60.8 t -119.83 121.57 66.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.8 m-70 -105.51 -30.61 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.59 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -52.06 3.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -33.6 4.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -93.28 43.33 1.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.526 HD11 ' CH2' ' A' ' 31' ' ' TRP . 25.5 tp -114.02 148.2 37.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 ' C ' ' HE1' ' A' ' 78' ' ' MET . 90.8 mt -120.28 160.41 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.715 ' O ' HD22 ' A' ' 45' ' ' LEU . 35.5 t80 -61.5 -44.73 96.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.3 mmt85 -57.38 -47.2 82.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -46.17 -50.71 15.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 98.7 t -54.24 -50.75 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -62.27 -36.71 82.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 3.1 m-20 -65.05 -29.88 70.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 31' ' ' TRP . 55.8 t -83.42 -60.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.474 HG21 ' HB3' ' A' ' 106' ' ' PRO . 45.6 mt -41.95 -43.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.73 -39.15 16.42 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 47' ' ' VAL . 5.4 mt-30 -72.53 -31.58 65.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 0.818 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.63 HG12 HD12 ' A' ' 52' ' ' LEU . 28.9 t -75.91 -44.4 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD12 HG12 ' A' ' 51' ' ' VAL . 7.5 mp -120.73 78.49 30.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.73 16.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.4 -1.49 35.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -141.15 78.51 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.88 147.86 4.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.409 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -141.52 133.93 28.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.485 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 17.9 m -107.77 -35.54 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.39 165.98 19.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 14.3 p90 -147.86 161.38 41.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 23.1 mt-10 -115.95 152.47 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.1 p90 -145.54 127.78 15.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.23 122.59 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.726 ' CG ' HD11 ' A' ' 70' ' ' ILE . 1.7 p-10 -84.95 -175.88 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -57.69 -25.35 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -103.22 18.03 22.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.88 58.04 1.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -111.31 3.5 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 56.27 105.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.726 HD11 ' CG ' ' A' ' 64' ' ' ASP . 5.3 mm -88.74 177.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 26.9 m -134.45 118.22 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.483 HG11 ' HG2' ' A' ' 78' ' ' MET . 88.1 t -97.9 91.96 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -104.23 7.83 36.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.36 162.35 27.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -56.18 -36.66 68.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -50.06 -57.52 7.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -54.44 -44.82 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.54 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -45.61 -64.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.969 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -46.39 -42.61 15.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.48 -56.89 16.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.3 ttp -49.73 -41.15 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -73.41 -50.86 19.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.19 -39.06 19.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.059 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -72.39 -65.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.7 t80 -35.46 -44.95 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.0 m-30 -72.75 -49.01 33.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -28.5 30.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.24 -47.88 5.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -48.31 -49.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.861 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.7 ptt? -56.94 -31.58 65.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 94' ' ' VAL . 42.8 mt-10 -74.65 -26.57 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.7 mt-30 -74.62 -26.43 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.871 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.6 mt-30 -79.76 -46.11 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.269 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.861 HG13 ' O ' ' A' ' 90' ' ' MET . 2.8 m -60.27 -28.7 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.33 -62.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.35 -49.75 0.55 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -39.7 151.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.307 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.86 153.95 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.871 HD11 ' HG2' ' A' ' 93' ' ' GLN . 31.8 mm -79.32 144.99 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.96 150.57 38.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.96 142.39 27.92 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.415 HD21 ' CE ' ' A' ' 81' ' ' MET . 19.3 tp -60.86 83.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 20.9 tt0 -62.9 110.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.571 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 21.7 pt -121.32 158.64 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 61.7 m-85 -127.83 124.34 23.24 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.474 ' HB3' HG21 ' A' ' 48' ' ' ILE . 18.4 Cg_endo -74.99 105.78 2.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.07 85.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.3 p -71.5 145.99 48.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 157.13 28.18 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.492 1.12 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 83.03 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.444 1.76 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 128.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.4 m -79.79 -58.64 3.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -53.8 141.62 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 0.762 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -127.09 105.29 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.68 134.76 2.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -93.28 98.26 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.42 118.15 31.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.67 158.21 31.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.01 41.77 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -49.31 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 t -173.71 156.22 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 108.26 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.05 32.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.3 mmt -131.12 124.47 30.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -57.07 114.64 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -159.68 -50.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.64 163.0 12.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.9 m -107.96 162.2 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.812 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tp -91.03 144.85 25.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.7 t -126.57 111.84 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.795 HD12 HG21 ' A' ' 33' ' ' VAL . 69.5 mt -94.67 118.71 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -96.45 100.82 12.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.41 117.46 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.1 OUTLIER -70.17 101.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -76.44 141.02 69.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.06 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 41.63 71.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 -42.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.83 -112.62 0.62 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -178.5 142.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.47 146.53 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.46 123.33 47.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.882 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 5.0 t90 -95.84 103.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.37 99.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.795 HG21 HD12 ' A' ' 19' ' ' ILE . 88.3 t -104.54 121.41 56.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -98.13 -34.14 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.598 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.15 50.27 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.43 -52.85 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -46.53 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -79.88 53.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.717 HD11 ' CH2' ' A' ' 31' ' ' TRP . 31.1 tp -120.34 139.62 52.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' C ' ' HE1' ' A' ' 78' ' ' MET . 76.8 mt -114.04 163.06 15.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.748 ' O ' HD22 ' A' ' 45' ' ' LEU . 49.3 t80 -61.62 -46.38 90.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -55.79 -50.27 70.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.5 m-20 -42.74 -49.73 5.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.2 t -55.09 -50.46 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -63.27 -38.09 89.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.81 -27.47 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.882 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 73.9 t -86.77 -62.35 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' VAL . 52.2 mt -39.6 -46.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.79 -42.1 6.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.4 mt-30 -69.14 -35.07 75.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.541 ' C ' HD12 ' A' ' 52' ' ' LEU . 21.6 t -73.27 -39.77 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 51' ' ' VAL . 7.1 mp -122.98 79.07 50.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.93 16.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -106.32 2.51 26.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.83 64.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 57' ' ' THR . 44.2 m -45.27 169.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 110.453 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -160.93 147.48 15.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 44.4 p -112.38 -35.31 5.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.77 176.54 7.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.4 p90 -160.26 155.23 24.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 24.9 mt-10 -107.23 156.58 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.0 OUTLIER -150.56 129.73 12.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.44 124.5 20.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.675 ' CG ' HD11 ' A' ' 70' ' ' ILE . 8.0 p-10 -89.81 -174.35 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.88 -30.01 60.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 67' ' ' GLY . 1.2 m-20 -99.8 17.29 21.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.7 52.7 1.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -104.08 4.43 34.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 56.26 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -87.53 179.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.5 m -137.51 115.06 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.719 HG11 ' HG2' ' A' ' 78' ' ' MET . 60.9 t -94.83 110.42 23.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.6 mtm180 -108.27 -31.32 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 m -132.96 -179.95 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.041 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -62.1 -38.73 89.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.15 -56.87 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.4 mt-10 -59.42 -40.31 86.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.719 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -53.49 -64.07 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.95 -40.96 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.72 -55.85 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.3 ttp -50.25 -40.84 49.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.2 mt -75.32 -42.83 53.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -54.95 -28.14 48.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -84.7 -64.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.054 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.812 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.4 t80 -36.78 -47.39 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.419 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.8 m-85 -72.48 -46.55 54.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -54.0 -29.93 45.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -95.99 -48.1 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.6 t -47.4 -45.62 9.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.838 ' O ' HG13 ' A' ' 94' ' ' VAL . 3.3 ppp? -59.93 -30.13 68.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.657 ' HA ' HG22 ' A' ' 94' ' ' VAL . 40.1 mt-10 -76.38 -25.28 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -73.16 -26.52 61.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.933 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -85.5 -43.18 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.23 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -67.78 -29.31 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -73.3 -54.95 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 127.18 40.08 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -133.96 158.04 44.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 0.764 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.95 163.04 20.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.933 HD11 ' HG2' ' A' ' 93' ' ' GLN . 18.1 mm -95.53 146.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -105.86 151.18 39.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 141.65 26.89 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.4 tp -61.52 81.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.7 tt0 -57.95 106.51 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.295 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.586 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 12.0 pt -119.65 157.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 36.3 m-85 -126.01 125.32 24.77 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 110.939 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -96.03 101.61 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 79.7 p -71.5 148.59 46.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -166.53 164.25 37.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.153 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 62.5 p -167.87 145.42 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.11 127.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.91 -58.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.17 153.77 17.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.13 66.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -123.27 150.11 43.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -166.91 117.13 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.17 156.12 53.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.4 22.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.537 1.809 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.98 169.76 3.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.2 p -85.14 61.68 7.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 108.332 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -176.06 147.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.82 -59.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 111.022 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.77 164.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.366 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -62.41 -63.27 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -135.16 139.63 44.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.36 177.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CE2' ' A' ' 85' ' ' TYR . 5.2 tp -90.4 139.32 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 76.2 t -129.09 115.32 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.7 mt -95.47 119.49 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -96.7 102.97 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.37 124.95 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.5 OUTLIER -70.68 101.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -77.87 141.04 63.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.02 115.25 4.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 44.57 60.23 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.49 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.43 -133.8 45.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -151.78 151.36 31.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -108.97 145.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -106.58 122.95 47.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.937 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.5 t90 -97.68 113.33 25.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 32' ' ' THR . 5.8 t -69.81 108.21 3.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 HG21 HD12 ' A' ' 19' ' ' ILE . 62.1 t -113.33 116.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 3.2 m-70 -97.63 -23.62 15.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.561 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.85 46.45 0.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.469 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -38.67 -52.31 2.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.5 Cg_endo -74.96 -37.12 2.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -89.54 38.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.677 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.5 tp -108.77 140.8 41.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 58.0 mt -114.64 162.55 16.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.617 ' O ' HD22 ' A' ' 45' ' ' LEU . 39.7 t80 -60.14 -52.25 66.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -49.82 -51.01 43.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 47' ' ' VAL . 5.2 m-20 -41.91 -51.83 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 63.6 t -53.69 -46.31 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.6 mm? -67.48 -34.38 77.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.52 -25.45 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.937 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 61.5 t -88.01 -60.11 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.47 -40.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.46 -34.4 26.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.1 mt-30 -79.64 -31.81 41.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.855 HG12 HD12 ' A' ' 52' ' ' LEU . 94.4 t -74.49 -43.23 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.855 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -120.57 77.76 28.21 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -20.94 16.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.57 3.27 45.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -150.73 79.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 57' ' ' THR . 19.3 m -46.17 167.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.449 ' N ' HG22 ' A' ' 56' ' ' THR . 1.2 m -157.38 136.65 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.498 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -113.91 -28.78 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -134.95 170.71 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 18.5 p90 -154.44 153.65 31.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 32.6 mt-10 -107.45 155.36 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -149.1 128.41 12.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 11.1 mt-10 -56.75 126.47 26.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.679 ' CG ' HD11 ' A' ' 70' ' ' ILE . 7.3 p-10 -93.25 -174.93 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.55 -33.63 66.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -94.87 16.14 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 36.72 59.18 1.1 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -112.5 2.35 16.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.403 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 12.3 mmt85 57.74 104.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.698 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -85.21 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.698 ' H ' HG22 ' A' ' 70' ' ' ILE . 28.7 m -136.62 106.3 6.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 HG11 ' HG2' ' A' ' 78' ' ' MET . 58.1 t -87.48 107.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.459 ' HG3' HG22 ' A' ' 71' ' ' THR . 15.2 mtt180 -118.62 -2.95 10.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -150.91 161.12 43.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -36.85 54.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -50.96 -61.06 2.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -52.57 -40.55 62.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.6 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.97 -68.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -43.4 -40.37 3.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -61.9 -55.1 33.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.563 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 59.2 ttp -51.09 -39.95 57.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.465 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.0 mt -75.14 -40.72 59.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.07 -29.13 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.2 OUTLIER -84.86 -61.04 1.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.686 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.6 t80 -38.6 -47.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.2 m-85 -71.33 -36.49 71.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.4 OUTLIER -66.65 -28.98 68.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.3 -34.1 11.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.425 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.6 HG13 HD12 ' A' ' 99' ' ' ILE . 2.6 t -61.91 -52.45 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.677 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -51.44 -27.36 10.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -73.23 -44.01 60.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.489 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 1.0 OUTLIER -58.79 -31.92 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.828 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.5 mt-30 -68.45 -42.9 78.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -76.97 -25.52 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 91' ' ' GLU . 29.1 m120 -68.13 -65.36 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.56 -62.02 0.34 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -46.12 159.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.7 161.83 30.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.828 HD11 ' HG2' ' A' ' 93' ' ' GLN . 43.5 mm -76.55 147.73 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.35 151.76 38.63 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 143.83 29.6 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.0 tp -60.35 83.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.2 tt0 -62.45 116.17 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.577 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 28.5 pt -130.15 172.61 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 13.2 m-85 -140.16 129.02 13.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.95 -57.04 3.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m 74.56 135.62 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.72 -178.76 45.48 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -65.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.5 t 66.78 155.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.49 125.32 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.51 170.35 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.975 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -86.46 174.68 8.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.38 -118.76 1.61 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -145.69 127.77 15.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 p -99.8 179.51 4.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.23 93.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.43 141.68 28.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.72 133.26 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 108.325 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -155.1 -179.76 8.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.6 ptm -177.07 131.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.51 157.2 46.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 m120 60.75 169.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -45.43 170.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.6 m -89.58 158.01 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.8 tp -93.73 147.37 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.4 t -126.74 108.69 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.496 HD12 ' CZ3' ' A' ' 31' ' ' TRP . 66.3 mt -93.29 111.66 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' NH2' ' HG3' ' A' ' 101' ' ' PRO . 33.5 ttm180 -98.19 98.2 9.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.447 HG13 HD11 ' A' ' 104' ' ' ILE . 3.5 mp -66.86 122.85 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' HG2' ' CE1' ' A' ' 105' ' ' PHE . 6.5 tptt -76.92 101.94 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.1 mm -76.82 140.98 67.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.0 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 40.72 70.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.83 -48.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.78 -119.21 0.96 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -177.68 140.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 t -108.04 141.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.51 125.61 42.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.8 t90 -101.27 102.92 13.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 107.984 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.37 99.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.4 t -105.43 126.71 60.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -101.08 -36.95 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.402 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.38 54.04 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.41 -52.99 5.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -75.01 -40.3 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.6 tt0 -84.57 50.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.2 tp -118.6 137.24 53.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 mt -110.33 160.53 16.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.6 t80 -61.29 -40.78 95.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -61.35 -47.0 87.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -49.19 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.1 t -55.35 -58.59 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.2 mm? -55.47 -37.6 68.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -62.48 -30.98 71.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 31' ' ' TRP . 42.4 t -82.01 -59.02 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.709 HD13 HG21 ' A' ' 57' ' ' THR . 40.3 mt -43.63 -42.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -32.94 7.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.23 -29.07 38.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.753 HG12 HD12 ' A' ' 52' ' ' LEU . 38.6 t -77.75 -47.21 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.753 HD12 HG12 ' A' ' 51' ' ' VAL . 8.5 mp -120.79 77.49 29.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.94 16.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.73 3.39 42.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . -147.81 109.66 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 57' ' ' THR . 2.9 t -56.28 -168.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.709 HG21 HD13 ' A' ' 48' ' ' ILE . 14.4 m -160.91 -65.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.38 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.2 m 69.96 -59.2 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.429 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.78 163.47 19.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 10.9 p90 -147.59 163.53 36.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 16.6 mt-10 -117.97 148.6 42.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 1.3 p90 -134.57 126.7 29.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.8 136.45 56.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 2.9 t0 -104.45 -154.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.6 -56.81 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -91.24 25.77 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 43.36 43.37 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 69' ' ' ARG . 46.7 t0 -76.6 -1.99 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.638 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 6.2 mmt85 49.63 99.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.666 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -82.28 177.01 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.666 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -133.57 119.16 19.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.423 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG11 ' HG2' ' A' ' 78' ' ' MET . 96.4 t -100.88 107.32 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -113.96 -5.13 13.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 163.57 36.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -40.7 69.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.91 -58.08 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.75 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.09 -44.73 67.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.618 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.07 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.06 -31.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -67.89 -56.57 8.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.569 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 44.7 ttp -51.13 -41.61 60.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.499 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.9 mt -72.3 -31.22 65.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.0 t -67.17 -17.94 65.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.964 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 7.5 t80 -91.48 -50.9 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.701 ' CE2' HD12 ' A' ' 17' ' ' LEU . 51.2 t80 -49.7 -49.61 47.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.6 m-85 -72.23 -30.04 64.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.7 t -72.34 -29.22 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.5 -44.87 6.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 85' ' ' TYR . 11.7 t -49.21 -46.81 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.686 ' O ' HG13 ' A' ' 94' ' ' VAL . 17.6 ptm -60.43 -25.75 66.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.3 mm-40 -81.56 -33.73 31.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.54 -16.21 63.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.83 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.09 -37.07 16.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -73.29 -33.37 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -68.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.69 -61.47 0.28 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -39.55 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 0.746 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.41 168.44 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.83 HD11 ' HG2' ' A' ' 93' ' ' GLN . 40.2 mm -76.83 158.48 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -119.49 151.51 51.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.04 147.19 33.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' ' 104' ' ' ILE . 14.0 tp -61.73 84.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 101' ' ' PRO . 34.8 tt0 -63.95 91.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.665 HG23 ' HG ' ' A' ' 102' ' ' LEU . 12.6 pt -102.24 160.28 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.638 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.2 m-85 -128.65 121.63 21.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 108.82 2.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -75.35 85.61 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.434 ' OG ' ' HB1' ' A' ' 55' ' ' ALA . 1.8 t -70.84 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -164.82 146.82 11.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 110.17 3.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 97.3 p -177.5 143.72 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.449 ' HB2' HG21 ' A' ' 58' ' ' THR . 3.9 m 63.08 110.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.91 141.85 51.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 63.17 149.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.956 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.8 102.15 0.16 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -118.13 146.46 44.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 0.774 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.51 103.17 2.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.95 82.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.89 27.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.27 172.6 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 91.6 m -147.43 165.13 31.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.791 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . . . -64.87 177.86 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.73 -56.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.81 86.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 174.6 159.84 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -44.22 162.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.1 m -117.94 160.23 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' VAL . 2.1 tp -94.44 145.58 24.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 30' ' ' ASP . 85.6 t -129.56 108.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.0 mt -96.01 116.36 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HE ' ' CB ' ' A' ' 28' ' ' ALA . 47.7 ttt180 -96.99 95.11 7.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG13 ' CG1' ' A' ' 104' ' ' ILE . 1.5 mp -74.21 116.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -66.03 110.41 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -85.93 141.5 35.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 112.28 3.52 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 48.14 57.87 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.01 49.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.142 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 51.24 -134.94 32.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -150.31 172.98 14.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -134.22 121.22 36.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' HB3' HG13 ' A' ' 18' ' ' VAL . 22.2 m-20 -86.61 108.78 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.933 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.3 t90 -78.82 105.5 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 t -63.15 105.77 0.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG22 ' CE2' ' A' ' 31' ' ' TRP . 76.9 t -114.74 125.18 71.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.791 ' HB3' ' HB2' ' A' ' 11' ' ' ALA . 8.5 m-70 -93.83 -39.84 10.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.607 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 58.0 m -91.75 74.09 5.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -54.69 -49.03 63.01 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.0 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -78.19 54.43 1.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD11 ' CH2' ' A' ' 31' ' ' TRP . 26.9 tp -126.85 140.24 52.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' C ' ' HE1' ' A' ' 78' ' ' MET . 68.9 mt -117.37 160.66 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.776 ' O ' HD22 ' A' ' 45' ' ' LEU . 41.2 t80 -58.35 -44.35 88.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 46' ' ' ASP . 2.9 mmt85 -58.39 -49.11 78.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.1 m-20 -45.79 -44.75 14.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 96.8 t -59.58 -50.85 78.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.776 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.62 -28.29 69.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -69.69 -30.29 67.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.933 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 86.2 t -85.36 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.66 HG21 HG21 ' A' ' 57' ' ' THR . 64.5 mt -45.74 -42.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.77 -29.07 7.63 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.08 -23.3 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.26 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.485 HG12 HD12 ' A' ' 52' ' ' LEU . 18.7 t -82.97 -42.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HG12 ' A' ' 51' ' ' VAL . 6.8 mp -123.4 74.1 51.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 51' ' ' VAL . 18.5 Cg_endo -74.93 -21.26 16.21 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.3 tp10 -96.74 -10.45 26.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -132.92 114.97 14.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 57' ' ' THR . 52.0 m -59.63 171.59 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.66 HG21 HG21 ' A' ' 48' ' ' ILE . 14.8 m -143.03 -66.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.519 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 28.8 m 67.58 -59.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.358 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' THR . . . -124.14 168.59 12.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.482 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.5 p90 -151.33 157.33 42.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 17.4 mt-10 -112.31 157.95 20.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.4 p90 -149.97 133.08 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.37 122.48 16.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 67' ' ' GLY . 44.3 p-10 -86.77 -166.37 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -60.34 -31.03 69.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -99.59 16.67 22.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 64' ' ' ASP . . . 36.45 51.43 1.36 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.17 4.36 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 57.7 105.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 4.7 mm -90.32 178.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 9.8 m -135.01 122.26 21.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 78' ' ' MET . 72.9 t -103.78 106.58 20.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -106.6 -19.65 13.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.19 170.74 15.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -54.98 -38.57 67.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.47 -58.38 3.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.5 mt-10 -59.79 -42.33 93.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.658 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.91 -66.65 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -41.73 -44.39 3.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -57.9 -56.54 20.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.1 ttp -48.8 -40.83 30.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.04 -42.06 57.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 t -55.88 -35.0 66.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.8 OUTLIER -77.47 -61.42 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 72.0 t80 -38.32 -48.8 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -72.81 -40.52 65.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.3 t -60.51 -29.74 69.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.12 -44.04 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.848 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -50.26 -49.47 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.619 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.8 OUTLIER -58.11 -27.38 63.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.607 ' HA ' HG22 ' A' ' 94' ' ' VAL . 26.5 mt-10 -78.9 -26.24 43.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.453 ' CB ' HD13 ' A' ' 99' ' ' ILE . 3.4 mt-30 -73.52 -25.13 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.854 ' HG2' HD11 ' A' ' 99' ' ' ILE . 5.5 mt-30 -85.26 -51.45 6.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 90' ' ' MET . 22.5 m -54.87 -22.78 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 94' ' ' VAL . 2.0 m-80 -85.86 -55.14 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.3 1.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -50.83 157.96 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.9 mt -78.84 152.07 31.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.854 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.0 mm -76.49 159.69 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 99' ' ' ILE . 2.4 pt-20 -122.3 149.56 55.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.95 139.35 24.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 85' ' ' TYR . 18.6 tp -56.8 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.6 tt0 -68.06 104.47 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 32.4 pt -115.78 165.49 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 62.0 m-85 -133.72 127.71 19.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.55 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.2 Cg_endo -74.96 101.81 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.26 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.3 p -90.05 118.61 29.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.2 166.54 26.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 152.02 39.96 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.44 1.758 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.9 m -126.64 -60.42 1.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.976 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -94.69 -59.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 p -151.99 166.99 29.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 109.958 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -69.22 97.52 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.69 -99.64 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 p -155.75 115.26 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -146.85 99.02 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.4 162.56 49.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 57.01 4.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.459 1.768 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.81 112.78 19.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.5 t -62.1 96.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -125.01 176.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 46.83 86.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.69 123.85 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -153.07 -46.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.17 159.64 23.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.2 m -75.58 162.71 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.1 tp -96.38 141.14 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 85.1 t -124.58 114.09 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 90.4 mt -96.6 124.03 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -103.88 104.71 14.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG23 ' HG3' ' A' ' 106' ' ' PRO . 3.4 mp -82.04 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -69.47 95.94 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.362 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -68.98 141.12 91.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.99 109.92 3.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.548 1.815 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 53.55 51.6 14.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.422 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -173.55 51.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 49.7 -130.95 27.03 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -159.3 162.56 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.9 t -122.97 148.31 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.1 p-10 -108.44 123.79 49.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.963 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 8.7 t90 -96.62 103.29 15.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.003 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 32' ' ' THR . 1.8 t -59.53 100.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 31' ' ' TRP . 49.1 t -105.2 121.53 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.31 -17.69 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.592 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.93 48.4 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.37 -52.24 2.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.74 0.62 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -85.27 46.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.708 HD11 ' CH2' ' A' ' 31' ' ' TRP . 45.9 tp -116.25 129.44 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.9 mt -103.09 151.87 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.727 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -51.61 -48.42 63.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.147 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -53.65 -58.29 7.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.9 OUTLIER -36.8 -48.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.3 t -55.25 -53.97 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.23 -35.55 73.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.69 -29.58 70.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.963 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 40.5 t -82.71 -58.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -44.89 -38.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.27 -32.37 29.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.18 -30.67 38.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 110.24 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG12 HD12 ' A' ' 52' ' ' LEU . 24.4 t -76.83 -46.86 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD12 HG12 ' A' ' 51' ' ' VAL . 7.3 mp -120.73 77.56 29.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -20.76 16.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 tp10 -97.31 -9.59 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -134.66 78.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 57' ' ' THR . 99.5 m -47.09 166.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.1 m -158.81 132.63 7.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.2 p -118.34 5.04 11.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' O ' HG23 ' A' ' 57' ' ' THR . . . -167.21 156.82 10.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.43 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 11.8 p90 -145.36 164.95 29.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 20.1 mt-10 -118.25 147.46 43.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.6 p90 -133.98 126.11 29.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.73 135.03 55.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -107.87 -162.38 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -53.06 -53.3 52.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.3 OUTLIER -90.75 24.48 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.05 38.72 0.36 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -77.28 -0.3 24.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.646 ' NE ' ' CE2' ' A' ' 105' ' ' PHE . 9.7 mmt85 53.17 98.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.684 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -79.95 177.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.684 ' H ' HG22 ' A' ' 70' ' ' ILE . 95.2 m -127.8 135.92 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.727 HG12 ' CE1' ' A' ' 41' ' ' PHE . 97.8 t -118.69 103.77 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -111.53 -14.75 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.3 m -143.43 170.04 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.84 -37.49 68.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.39 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.688 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -50.64 -43.76 57.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.492 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -49.13 -67.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -43.71 -31.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.43 -55.79 9.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.545 ' HB2' ' CD2' ' A' ' 62' ' ' TYR . 50.7 ttp -50.8 -41.19 56.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 ' OH ' ' A' ' 86' ' ' TYR . 11.6 mt -75.57 -31.17 59.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.7 m -64.8 -32.07 73.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -82.93 -50.51 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 89' ' ' VAL . 67.1 t80 -45.12 -46.71 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.871 ' OH ' HD22 ' A' ' 82' ' ' LEU . 12.4 m-30 -72.4 -44.48 62.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t -59.49 -27.89 66.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -42.81 8.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.3 t -53.48 -50.21 50.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.805 ' O ' HG13 ' A' ' 94' ' ' VAL . 19.3 ptt? -58.51 -24.84 61.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.1 mm-40 -80.52 -32.58 36.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -70.3 -16.51 63.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.855 ' HG2' HD11 ' A' ' 99' ' ' ILE . 22.7 mt-30 -87.39 -45.78 10.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 90' ' ' MET . 2.0 m -61.99 -31.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.04 -66.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 156.82 -51.35 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -40.47 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.98 154.97 40.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.855 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.1 mm -72.23 144.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -106.43 149.4 38.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.03 137.22 21.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 104' ' ' ILE . 19.5 tp -49.58 93.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' PRO . 58.1 tt0 -72.12 94.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 25.5 pt -107.19 161.39 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.646 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 63.0 m-85 -130.4 123.92 20.8 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.44 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.03 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -72.76 92.52 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -78.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 57.51 -153.22 24.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.94 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.34 150.02 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.7 p -170.16 -53.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.31 90.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.54 114.94 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.65 123.22 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -175.96 85.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.8 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -169.74 119.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.55 -179.67 30.84 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 89.75 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.41 111.93 7.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 p -159.24 -48.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 108.28 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 128.43 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -142.77 -47.66 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -147.24 141.88 26.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -93.2 -51.49 4.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.11 152.95 18.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.58 161.51 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.81 137.92 31.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 94.4 t -123.54 114.33 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.587 HD12 HG21 ' A' ' 33' ' ' VAL . 65.1 mt -96.53 117.91 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -96.67 100.85 12.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG13 HD11 ' A' ' 104' ' ' ILE . 4.2 mp -76.26 142.51 14.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 116.42 25.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -92.55 141.13 24.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 113.62 3.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 43.96 72.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.91 -45.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.0 -112.57 0.64 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.08 148.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.83 147.41 18.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.6 p-10 -106.52 122.45 46.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.893 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.8 t90 -95.77 112.3 24.05 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 32' ' ' THR . 1.7 t -69.1 100.1 1.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG22 ' CE2' ' A' ' 31' ' ' TRP . 93.5 t -103.94 119.4 52.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.08 -30.9 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.587 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.4 51.7 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.62 -53.39 2.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -81.74 52.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD11 ' CH2' ' A' ' 31' ' ' TRP . 27.5 tp -122.71 139.42 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.79 163.05 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.76 ' O ' HD22 ' A' ' 45' ' ' LEU . 44.0 t80 -61.16 -46.29 91.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' ASP . 43.1 mmm-85 -56.03 -49.64 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.24 -50.2 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.4 t -55.5 -52.19 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.76 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.68 -30.99 71.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.2 m-20 -71.04 -26.4 63.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.893 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 38.2 t -85.66 -58.71 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.446 HG21 ' HB ' ' A' ' 57' ' ' THR . 26.3 mt -43.89 -43.66 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.86 -30.81 5.15 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 111.064 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -81.14 -33.72 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 52' ' ' LEU . 23.8 t -75.66 -42.9 41.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 51' ' ' VAL . 7.9 mp -120.9 78.2 31.33 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -20.3 17.16 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' CA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -104.34 3.66 32.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.313 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.74 69.09 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 57' ' ' THR . 30.3 m -45.51 165.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -154.41 139.45 17.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.542 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 8.4 m -105.84 -37.11 6.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.1 175.43 8.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 6.9 p90 -153.96 151.55 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 46.6 mt-10 -104.6 152.78 22.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.7 p90 -154.17 130.72 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.98 120.96 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 7.2 t0 -78.68 -151.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -71.68 -32.01 67.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.72 25.74 2.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.35 28.21 8.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 2.2 m-20 -93.72 117.04 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.743 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' NH2' ' CZ ' ' A' ' 105' ' ' PHE . 20.3 mmt85 -59.39 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 71' ' ' THR . 6.2 mm -66.67 174.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.621 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.2 m -133.11 130.29 39.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.691 HG11 ' HG2' ' A' ' 78' ' ' MET . 47.7 t -113.82 109.71 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 55.9 mtm-85 -111.63 -27.39 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.1 p -133.25 165.12 25.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.06 -40.97 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.62 -64.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' CB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.691 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -51.83 -69.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -42.43 -41.63 2.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -62.96 -53.27 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.4 ttp -52.37 -39.47 60.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.619 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.5 mt -75.85 -41.03 53.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.1 t -56.92 -24.67 54.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.548 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -85.83 -63.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.642 ' CE2' HD12 ' A' ' 17' ' ' LEU . 78.6 t80 -37.63 -44.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.619 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.9 m-85 -72.5 -41.75 65.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 84' ' ' TYR . 14.8 t -57.09 -30.51 64.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 91' ' ' GLU . 0.6 OUTLIER -95.94 -47.86 5.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.418 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -47.42 -43.61 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.866 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -63.13 -26.62 68.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.634 ' HA ' HG22 ' A' ' 94' ' ' VAL . 3.6 mm-40 -81.17 -21.75 39.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.488 ' HB2' HD13 ' A' ' 99' ' ' ILE . 20.7 mt-30 -75.29 -26.33 58.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.827 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -86.27 -42.53 13.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 90' ' ' MET . 4.3 m -65.92 -31.68 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -70.8 -52.54 19.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.58 39.36 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -134.67 158.57 43.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 110.246 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.89 164.34 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.827 HD11 ' HG2' ' A' ' 93' ' ' GLN . 11.9 mm -95.96 147.26 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -105.01 151.61 39.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 139.92 24.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.443 HD13 ' CD1' ' A' ' 85' ' ' TYR . 16.3 tp -56.4 87.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.3 tt0 -64.04 105.88 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.466 HD11 HG13 ' A' ' 21' ' ' ILE . 13.4 pt -121.32 177.08 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.512 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 54.0 m-85 -145.93 131.6 9.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' ARG . 18.2 Cg_endo -75.0 93.65 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -38.53 -54.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.0 t 63.89 150.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -170.41 166.81 40.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.03 57.78 4.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 110' ' ' PRO . 0.2 OUTLIER 39.02 72.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.039 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 79.4 p -100.79 151.44 21.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -141.3 -57.98 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.92 -58.86 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.76 123.35 7.4 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -142.42 -57.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 110.036 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 p -68.09 146.34 53.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.78 150.58 8.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 131.53 14.36 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -170.21 145.88 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.12 -67.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 108.322 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 64.95 119.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtp -162.71 166.25 24.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -156.27 109.43 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -173.79 -58.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -139.71 172.86 12.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 15' ' ' GLN . 15.7 m -154.74 -174.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.23 130.47 47.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 30' ' ' ASP . 69.4 t -123.1 112.23 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 81.4 mt -93.94 111.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -90.14 102.65 15.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.8 mp -80.92 120.19 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.509 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 7.1 tptm -69.4 102.61 1.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -78.61 141.07 59.93 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.01 112.07 3.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 48.68 56.69 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -176.36 43.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.17 -131.81 52.24 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -154.63 162.77 40.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.1 t -124.82 131.72 72.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.576 ' HB3' HG13 ' A' ' 18' ' ' VAL . 35.8 m-20 -95.38 114.62 26.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.97 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 6.6 t90 -85.54 110.56 19.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 t -62.87 114.78 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' TRP . 47.6 t -125.32 124.33 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -106.73 -26.12 11.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.513 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -96.9 60.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -46.06 -55.92 7.2 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -24.39 12.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.549 1.816 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.513 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.4 mm100 -95.4 40.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.757 HD11 ' CH2' ' A' ' 31' ' ' TRP . 38.4 tp -117.74 140.14 50.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HE2' ' A' ' 78' ' ' MET . 82.6 mt -116.82 160.96 20.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.681 ' O ' HD22 ' A' ' 45' ' ' LEU . 37.4 t80 -58.34 -50.89 72.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -51.61 -51.8 52.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -42.26 -51.34 4.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.4 t -53.73 -46.17 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -67.92 -33.92 75.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.8 -26.33 64.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 48.1 t -85.92 -59.03 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 mt -46.72 -40.07 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.61 -32.03 23.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -80.47 -32.16 37.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.938 HG12 HD12 ' A' ' 52' ' ' LEU . 99.2 t -74.8 -45.14 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.938 HD12 HG12 ' A' ' 51' ' ' VAL . 8.8 mp -120.93 77.55 30.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 3.9 tt0 -96.8 -6.37 36.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.75 78.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -49.02 167.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.365 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -160.42 136.86 8.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.544 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 22.9 m -107.31 -37.04 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' THR . . . -126.84 166.65 17.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 8.8 p90 -145.86 155.48 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 21.7 mt-10 -108.34 155.61 20.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 2.2 p90 -155.19 132.07 10.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.14 117.96 10.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.563 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 9.5 t0 -74.7 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 66' ' ' ASP . 2.3 pt-20 -71.5 -32.09 67.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.338 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' HG2' ' A' ' 65' ' ' GLU . 0.4 OUTLIER -91.49 25.51 2.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.38 23.04 4.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -90.36 116.47 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.498 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 16.1 mmt85 -57.61 99.83 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.172 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 71' ' ' THR . 10.4 mm -78.6 175.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.658 ' H ' HG22 ' A' ' 70' ' ' ILE . 51.6 m -134.73 131.67 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HG2' ' A' ' 78' ' ' MET . 57.5 t -114.77 104.99 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.76 14.72 17.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -168.91 161.52 10.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.45 -45.09 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -44.77 -56.53 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.453 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -55.04 -42.33 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.645 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -54.32 -64.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -43.63 -37.99 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -66.85 -52.95 37.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.577 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 62.8 ttp -52.76 -38.68 61.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.693 HD22 ' OH ' ' A' ' 86' ' ' TYR . 7.4 mt -77.58 -39.25 46.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -59.56 -23.88 63.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.926 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -86.25 -63.1 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' O ' HG23 ' A' ' 89' ' ' VAL . 76.7 t80 -38.31 -43.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.062 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.693 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.1 m-30 -71.55 -42.89 67.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.6 -32.54 69.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.07 -43.21 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 99' ' ' ILE . 3.6 t -53.05 -55.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.896 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -53.1 -29.47 30.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.8 mm-40 -75.94 -27.9 57.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.493 ' CB ' HD13 ' A' ' 99' ' ' ILE . 1.9 mt-30 -75.97 -26.62 56.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.761 ' HG2' HD11 ' A' ' 99' ' ' ILE . 12.4 mt-30 -79.07 -48.07 15.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 90' ' ' MET . 3.9 m -58.15 -27.86 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.23 -60.5 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 148.23 -50.57 0.57 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -38.57 150.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 151.8 45.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.761 HD11 ' HG2' ' A' ' 93' ' ' GLN . 37.1 mm -77.11 145.02 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -99.81 149.89 36.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.01 139.86 24.74 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.79 83.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' PRO . 61.6 tt0 -65.05 116.86 6.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 22.6 pt -126.61 175.95 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CD2' ' HB3' ' A' ' 22' ' ' LYS . 36.2 m-85 -143.25 127.39 9.46 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.98 3.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -85.67 103.87 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.3 m -80.63 144.15 32.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.45 125.22 1.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.81 9.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 77.21 -59.52 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 33.1 p -166.67 -59.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.77 109.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.945 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -59.07 4.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.92 121.92 2.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.07 117.98 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 0.778 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 m -57.66 166.34 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.49 96.64 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 107.9 2.59 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.77 157.15 42.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.73 67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.88 175.46 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtt 60.47 150.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -80.87 107.74 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -51.32 125.07 13.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -39.44 152.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 m -50.42 158.67 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.73 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 tp -89.77 147.96 23.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.66 115.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.603 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 56.7 mt -97.22 123.21 49.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 55.7 ttt180 -100.82 107.84 19.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' HB ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -87.13 106.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 93.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 24' ' ' PRO . 27.6 mm -59.76 142.58 88.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -75.02 105.11 2.02 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 54.45 72.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.616 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -172.22 -60.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.29 -119.84 0.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.93 130.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG12 ' HB ' ' A' ' 21' ' ' ILE . 1.8 p -98.6 154.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 30' ' ' ASP . 13.1 p-10 -113.44 108.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.965 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 11.0 t90 -85.0 106.18 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 32' ' ' THR . 15.1 t -68.23 108.45 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.469 HG11 HD22 ' A' ' 39' ' ' LEU . 74.9 t -111.94 122.79 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -93.47 -41.82 9.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -83.21 59.24 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.951 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' SER . . . -36.87 -60.46 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.13 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -35.5 3.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -81.08 51.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 HD11 ' CH2' ' A' ' 31' ' ' TRP . 35.1 tp -125.14 137.93 54.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 78' ' ' MET . 85.8 mt -113.99 161.62 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.718 ' O ' HD22 ' A' ' 45' ' ' LEU . 45.9 t80 -60.23 -48.04 83.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' ASP . 39.8 mmm-85 -54.08 -50.4 66.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.79 -50.77 5.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 59.4 t -54.46 -47.38 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.4 mm? -66.52 -32.69 74.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -68.93 -27.35 65.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.965 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -87.56 -59.37 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.9 mt -43.77 -42.58 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.07 -34.4 16.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.3 mt-30 -77.25 -31.5 55.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.588 HG12 HD12 ' A' ' 52' ' ' LEU . 25.5 t -76.44 -42.19 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 HG12 ' A' ' 51' ' ' VAL . 8.0 mp -121.48 78.1 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.69 16.66 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.5 1.79 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 2.69 34.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -143.71 69.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 52.6 m -44.06 150.32 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -143.18 138.79 29.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 47.8 p -111.83 -35.28 5.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.04 171.67 11.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.9 p90 -155.08 148.29 24.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 38.1 mt-10 -101.62 151.7 21.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.3 p90 -145.85 128.76 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.8 125.99 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.758 ' CG ' HD11 ' A' ' 70' ' ' ILE . 3.3 p-10 -89.26 -175.95 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.04 -27.09 65.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -100.12 17.14 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.42 59.53 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -114.5 3.34 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 56.33 105.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.758 HD11 ' CG ' ' A' ' 64' ' ' ASP . 4.7 mm -89.07 179.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.725 ' H ' HG22 ' A' ' 70' ' ' ILE . 18.2 m -136.84 113.13 9.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.679 HG11 ' HG2' ' A' ' 78' ' ' MET . 73.4 t -93.56 108.87 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 12.4 mtp-105 -109.54 -24.61 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 m -137.51 169.04 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.934 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.75 -37.28 65.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -48.66 -54.51 14.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.2 mt-10 -62.2 -38.72 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.679 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.56 -68.63 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 111.037 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.99 -42.71 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -59.55 -56.68 18.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 60.0 ttp -49.34 -41.26 38.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.584 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.0 mt -73.39 -46.25 49.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -52.02 -31.91 31.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.531 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -80.91 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.5 t80 -36.18 -44.85 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.584 ' OH ' HD22 ' A' ' 82' ' ' LEU . 23.1 m-85 -72.66 -43.49 63.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' TYR . 23.2 t -57.38 -29.61 64.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -96.17 -46.64 6.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.441 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.817 HG13 HD12 ' A' ' 99' ' ' ILE . 3.3 t -48.14 -49.54 11.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.832 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -57.61 -31.81 66.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 94' ' ' VAL . 7.6 mm-40 -74.04 -26.09 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.507 ' CB ' HD13 ' A' ' 99' ' ' ILE . 4.0 mt-30 -73.6 -25.0 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.2 mt-30 -81.76 -46.54 14.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.832 HG13 ' O ' ' A' ' 90' ' ' MET . 2.2 m -59.98 -31.17 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.03 -66.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.17 -55.83 0.38 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -40.3 160.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.79 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -75.5 167.84 21.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.4 mm -88.29 149.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -107.58 150.11 39.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.5 Cg_endo -74.98 141.36 26.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.511 HD21 ' CE ' ' A' ' 81' ' ' MET . 20.3 tp -56.21 88.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 101' ' ' PRO . 52.6 tt0 -61.87 107.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.603 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.7 pt -124.51 169.77 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -139.17 128.64 14.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.437 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.97 110.55 3.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.25 87.26 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.8 p -71.06 140.79 50.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.31 146.57 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -65.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.35 141.5 43.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.953 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.39 152.29 51.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -92.55 163.75 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 p -160.32 113.35 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.44 136.63 28.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.41 167.57 11.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -126.7 145.46 50.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.39 98.08 2.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.7 34.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.48 149.61 29.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.77 154.21 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 148.45 48.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.54 130.11 16.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.472 ' OE2' ' CE2' ' A' ' 86' ' ' TYR . 2.5 mm-40 -95.42 139.73 31.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 177.39 171.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 63.08 146.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -62.86 -179.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD23 ' HA2' ' A' ' 36' ' ' GLY . 14.1 tp -138.65 124.92 20.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 65.6 t -117.81 116.68 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.601 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 96.8 mt -93.46 124.01 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -100.89 102.06 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.13 116.61 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -71.87 108.51 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.517 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -80.94 141.28 50.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 137.52 21.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 48.64 25.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 179.38 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.79 -110.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.461 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -174.3 155.29 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 t -119.61 140.32 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -93.78 137.1 33.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CE2' HG21 ' A' ' 47' ' ' VAL . 1.7 t90 -113.32 125.36 54.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.036 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 6.0 t -74.88 124.77 27.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.441 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 73.1 t -120.4 -66.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 8.3 m-70 76.33 -53.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 1.2 m -80.32 59.73 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.551 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -47.47 -47.78 22.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -74.98 -29.49 8.21 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.1 OUTLIER -96.15 45.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HG ' ' CE ' ' A' ' 78' ' ' MET . 56.5 tp -120.85 152.85 37.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' C ' ' CE ' ' A' ' 78' ' ' MET . 68.4 mt -128.08 157.59 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.728 ' O ' HD22 ' A' ' 45' ' ' LEU . 43.9 t80 -58.99 -44.7 91.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 45' ' ' LEU . 3.8 mpt_? -56.33 -57.5 11.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.256 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.475 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.6 m-20 -36.41 -49.61 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.605 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 85.6 t -55.0 -53.11 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -61.31 -35.99 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.9 -23.12 65.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CE2' ' A' ' 31' ' ' TRP . 45.7 t -90.28 -60.89 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' VAL . 29.7 mt -40.27 -47.5 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.36 -41.02 6.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.115 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 4.0 mt-30 -68.33 -33.1 73.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.363 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HD11 ' A' ' 23' ' ' ILE . 21.8 t -77.98 -38.88 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.448 HD23 ' HB3' ' A' ' 55' ' ' ALA . 6.9 mp -121.52 77.45 36.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.86 16.58 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.55 -0.01 30.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -145.4 72.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.6 m -48.5 162.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -153.52 137.79 16.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.355 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.507 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 7.2 m -107.11 -36.22 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.47 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 57' ' ' THR . . . -127.12 167.75 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.481 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 13.2 p90 -148.15 167.35 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 42.2 mt-10 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.3 p90 -136.07 126.66 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.97 135.32 57.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.7 -153.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.27 -52.21 63.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 25.14 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.02 37.89 1.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -74.49 -3.88 33.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 105' ' ' PHE . 6.6 mmt85 52.5 102.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.678 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -83.07 177.34 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.678 ' H ' HG22 ' A' ' 70' ' ' ILE . 22.5 m -132.97 119.83 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.445 HG11 ' HG2' ' A' ' 78' ' ' MET . 52.3 t -103.66 111.04 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' HG2' ' CB ' ' A' ' 59' ' ' ALA . 6.2 mtt180 -119.14 -3.07 10.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.3 p -156.24 155.13 31.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -44.84 -42.65 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -45.38 -53.59 8.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.782 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -61.33 -45.52 94.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.453 ' CE ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -45.89 -63.08 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -46.01 -26.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -74.6 -54.62 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.583 ' CE ' HD21 ' A' ' 102' ' ' LEU . 48.2 ttp -52.57 -40.08 62.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.804 HD22 ' OH ' ' A' ' 86' ' ' TYR . 5.7 mt -73.14 -32.43 64.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t -62.94 -23.83 67.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -88.74 -46.97 8.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 89' ' ' VAL . 54.1 t80 -52.66 -44.79 66.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.804 ' OH ' HD22 ' A' ' 82' ' ' LEU . 16.1 m-30 -72.66 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 111.051 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -26.54 58.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.05 -44.27 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.818 HG13 HD12 ' A' ' 99' ' ' ILE . 11.2 t -50.81 -56.02 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.835 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -52.33 -28.75 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 90' ' ' MET . 19.3 mm-40 -78.82 -26.39 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -75.08 -22.83 58.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.824 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.5 mt-30 -84.46 -48.35 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.835 HG13 ' O ' ' A' ' 90' ' ' MET . 3.6 m -58.53 -29.26 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -63.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.17 -60.01 0.38 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -39.56 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.33 159.54 34.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.824 HD11 ' HG2' ' A' ' 93' ' ' GLN . 50.9 mm -68.43 151.42 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -109.12 153.57 42.51 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 140.42 25.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.033 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.583 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.5 tp -55.44 89.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 101' ' ' PRO . 54.7 tt0 -63.95 99.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.601 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 15.9 pt -113.19 167.34 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.645 ' CE1' ' NE ' ' A' ' 69' ' ' ARG . 63.6 m-85 -135.87 124.76 15.74 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.04 4.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.44 84.8 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 110.94 16.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -153.74 -169.25 18.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 151.82 39.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 59.8 p -113.21 121.61 44.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.6 m 60.02 117.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -178.08 -58.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -123.2 122.66 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.41 -173.72 32.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.16 144.3 32.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.4 m -159.99 147.76 16.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 110.014 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.15 66.94 0.32 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.574 1.171 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 86.18 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.781 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.07 89.21 2.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.68 -69.28 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.328 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.92 109.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.09 167.39 16.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -86.65 90.13 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -178.46 167.84 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER 67.32 148.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 15' ' ' GLN . 3.1 m 43.99 -166.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD23 HG11 ' A' ' 33' ' ' VAL . 3.6 tp -113.6 137.51 51.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.78 109.98 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 33' ' ' VAL . 64.5 mt -97.06 123.42 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' CZ ' ' CB ' ' A' ' 28' ' ' ALA . 62.1 ttt-85 -104.45 102.18 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 104' ' ' ILE . 2.1 mt -78.5 117.75 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.7 OUTLIER -65.97 115.71 6.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.519 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -90.88 141.34 26.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 121.37 6.53 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.9 t30 39.93 73.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HG22 ' A' ' 23' ' ' ILE . 17.3 t -174.96 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.88 -119.75 0.93 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.599 ' CB ' ' CZ ' ' A' ' 20' ' ' ARG . . . -170.0 148.66 3.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.332 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.16 143.35 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.92 120.81 40.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.794 ' CE2' HG21 ' A' ' 47' ' ' VAL . 6.0 t90 -93.45 102.98 15.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 108.018 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 32' ' ' THR . 1.6 t -59.33 100.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.739 HG11 HD23 ' A' ' 17' ' ' LEU . 95.3 t -103.87 134.77 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -114.1 -36.51 4.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.79 53.24 2.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -43.51 -54.29 5.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.95 -33.84 4.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.458 1.767 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -91.92 42.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 31' ' ' TRP . 29.3 tp -112.83 150.79 31.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' C ' ' HE1' ' A' ' 78' ' ' MET . 84.2 mt -121.9 161.67 22.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' O ' HD22 ' A' ' 45' ' ' LEU . 34.7 t80 -61.88 -49.63 75.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.2 mmt180 -53.12 -48.17 68.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.51 -51.65 8.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 95.6 t -53.61 -49.05 58.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -64.76 -33.99 77.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 42' ' ' ARG . 2.3 m-20 -67.47 -30.04 69.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 ' CE2' ' A' ' 31' ' ' TRP . 56.0 t -83.14 -55.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HG21 HG21 ' A' ' 57' ' ' THR . 38.2 mt -48.85 -41.74 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.99 -26.93 9.22 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -85.85 -24.02 26.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.722 HG12 HD12 ' A' ' 52' ' ' LEU . 30.1 t -82.3 -47.31 19.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.722 HD12 HG12 ' A' ' 51' ' ' VAL . 8.2 mp -121.06 77.39 31.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -20.42 16.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.775 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.6 tp10 -96.02 -9.63 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.46 116.08 15.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.7 t -59.0 -173.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.62 HG21 HG21 ' A' ' 48' ' ' ILE . 52.9 m -157.1 -84.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.1 m 83.59 -55.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 107' ' ' ARG . . . -124.11 168.21 13.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.577 ' CZ ' HG11 ' A' ' 72' ' ' VAL . 22.2 p90 -153.28 149.43 27.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 7.0 mt-10 -106.38 149.38 27.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -143.37 127.36 17.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 103' ' ' GLN . 2.0 mt-10 -58.34 121.18 10.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.646 ' CG ' HD11 ' A' ' 70' ' ' ILE . 6.1 p-10 -85.96 -174.26 5.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -25.0 67.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.55 15.09 29.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.55 61.39 1.07 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -118.56 4.08 11.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 0.743 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 55.93 105.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.668 HG22 ' H ' ' A' ' 71' ' ' THR . 5.5 mm -86.23 175.91 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.668 ' H ' HG22 ' A' ' 70' ' ' ILE . 49.0 m -133.63 114.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.577 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 76.2 t -94.42 94.14 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.423 ' HG2' ' NH2' ' A' ' 107' ' ' ARG . 79.2 mtm180 -105.03 7.38 33.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.63 170.04 9.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -58.59 -39.14 79.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.93 -54.74 7.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -62.7 -43.18 99.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.543 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -48.25 -68.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.58 -39.13 4.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -63.51 -55.98 19.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.2 ttp -50.33 -39.31 45.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD22 ' OH ' ' A' ' 86' ' ' TYR . 8.4 mt -75.06 -41.2 59.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -35.24 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 109.974 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.57 -66.66 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 89' ' ' VAL . 73.7 t80 -35.94 -46.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.513 ' OH ' HD22 ' A' ' 82' ' ' LEU . 22.7 m-85 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 84' ' ' TYR . 41.3 t -57.6 -28.78 63.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.95 -42.81 8.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 HD12 ' A' ' 99' ' ' ILE . 3.2 t -54.06 -47.47 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -59.56 -24.66 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.56 ' HA ' HG22 ' A' ' 94' ' ' VAL . 14.7 mm-40 -80.9 -30.54 35.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 7.0 mt-30 -71.96 -19.83 61.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.835 ' HG2' HD11 ' A' ' 99' ' ' ILE . 8.4 mt-30 -89.88 -47.05 8.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 5.9 m -63.19 -25.85 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -79.95 -55.78 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.95 45.27 0.24 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -133.33 151.04 51.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.48 151.98 31.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.835 HD11 ' HG2' ' A' ' 93' ' ' GLN . 16.3 mm -93.06 141.13 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.31 152.09 37.73 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -75.0 142.07 27.41 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.538 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.1 tp -61.69 80.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 43.5 tt0 -58.95 114.89 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 102' ' ' LEU . 26.3 pt -124.97 155.28 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 76.5 m-85 -124.97 127.96 24.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.2 Cg_endo -75.01 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.423 ' NH2' ' HG2' ' A' ' 73' ' ' ARG . 7.3 mtm180 -56.53 87.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PRO . 69.0 p -82.17 103.42 11.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.17 -158.68 18.11 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.69 24.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.76 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.53 -56.05 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 m 60.04 157.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -172.01 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.9 90.93 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.28 -168.85 31.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.88 131.63 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.743 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -166.88 120.1 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.7 155.55 53.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.23 25.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.91 143.91 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -167.36 98.73 0.5 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.2 126.35 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 ttt -178.52 129.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -166.3 65.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 t30 64.26 95.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' C ' HG22 ' A' ' 16' ' ' VAL . 1.6 tt0 177.13 164.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG22 ' C ' ' A' ' 15' ' ' GLN . 16.8 m 45.09 -169.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.7 tp -105.4 137.25 43.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 72.5 t -125.12 115.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 9.5 mt -94.19 120.02 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -100.42 101.97 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.49 126.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.1 108.7 11.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -85.07 141.18 37.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.01 118.28 5.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 1.5 m-20 39.78 76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.89 -52.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 156.75 -122.02 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -171.51 146.39 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.6 t -114.62 146.54 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 1.4 p-10 -106.47 121.95 45.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CE2' HG21 ' A' ' 47' ' ' VAL . 3.9 t90 -96.57 117.0 30.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 t -66.15 117.39 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.603 HG11 HD23 ' A' ' 17' ' ' LEU . 60.7 t -126.5 121.12 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 2.4 m-70 -107.08 -26.91 10.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.584 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.15 48.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.4 -51.95 3.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.03 -36.17 2.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -89.4 38.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 31' ' ' TRP . 24.7 tp -110.35 147.18 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 89.1 mt -119.54 161.28 20.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.75 ' O ' HD22 ' A' ' 45' ' ' LEU . 50.9 t80 -62.62 -43.04 99.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -59.91 -45.65 91.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.2 m-20 -46.69 -47.96 20.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 94.7 t -57.05 -55.53 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -57.8 -35.63 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -31.85 73.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.779 HG21 ' CE2' ' A' ' 31' ' ' TRP . 54.8 t -82.4 -57.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.55 HG21 HG21 ' A' ' 57' ' ' THR . 54.4 mt -44.55 -43.46 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.34 -24.32 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.6 -32.94 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.648 HG12 HD12 ' A' ' 52' ' ' LEU . 22.0 t -74.41 -50.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.689 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 6.6 mp -120.67 77.66 28.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -20.63 16.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.816 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.1 tt0 -100.52 -6.32 25.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -128.98 110.09 11.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 57' ' ' THR . 91.5 m -56.04 174.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.55 HG21 HG21 ' A' ' 48' ' ' ILE . 13.5 m -150.41 -81.36 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.352 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 2.6 m 80.45 -51.66 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.92 167.04 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.2 p90 -150.3 161.07 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 27.7 mt-10 -115.77 157.19 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.2 p90 -147.83 128.34 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.97 134.54 56.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 10.6 t0 -104.32 -154.92 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 8.3 pt-20 -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 15.4 m-20 -85.21 8.46 18.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 40.57 56.85 2.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -108.07 1.72 22.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 58.93 98.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.701 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -78.64 177.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.701 ' H ' HG22 ' A' ' 70' ' ' ILE . 25.3 m -133.78 137.99 45.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' HA ' ' CB ' ' A' ' 77' ' ' GLU . 44.6 t -118.51 103.67 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 73' ' ' ARG . 15.8 mtp-105 -116.76 10.95 14.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 148.44 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -40.8 -39.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -45.84 -60.36 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.516 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 1.7 mp0 -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -49.61 -52.63 29.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -59.34 -29.12 67.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.3 -55.74 7.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.568 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 48.7 ttp -51.65 -41.28 61.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.699 HD22 ' OH ' ' A' ' 86' ' ' TYR . 12.4 mt -74.6 -36.2 62.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t -61.2 -25.12 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CD2' ' CE1' ' A' ' 62' ' ' TYR . 0.7 OUTLIER -89.68 -63.02 1.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.741 ' CE2' HD12 ' A' ' 17' ' ' LEU . 71.3 t80 -36.45 -47.83 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.699 ' OH ' HD22 ' A' ' 82' ' ' LEU . 20.2 m-30 -72.38 -43.73 63.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -58.97 -28.25 66.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.51 -41.47 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -56.15 -44.17 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.844 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -60.42 -24.3 65.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -79.94 -35.89 37.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 5.4 mt-30 -66.58 -24.33 66.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.917 ' HG2' HD11 ' A' ' 99' ' ' ILE . 9.6 mt-30 -83.54 -52.44 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 90' ' ' MET . 4.2 m -60.4 -26.38 37.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -81.32 -55.99 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.8 -40.39 1.2 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -45.48 154.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.27 151.93 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.917 HD11 ' HG2' ' A' ' 93' ' ' GLN . 33.0 mm -80.27 140.8 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.01 158.21 32.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.98 145.59 31.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' ILE . 16.0 tp -63.86 78.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 101' ' ' PRO . 60.2 tt0 -56.59 104.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.592 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 14.6 pt -115.71 159.45 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 27.0 m-85 -129.23 126.14 22.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.05 3.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.74 92.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.6 p -72.27 101.58 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -172.91 165.54 37.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.87 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.42 149.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.8 t -174.09 82.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.44 124.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.85 123.41 5.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.4 86.89 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 m -164.03 133.13 3.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.6 m -114.41 -62.28 1.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.28 98.31 1.84 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -52.68 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 51.41 176.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.12 138.91 39.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 34' ' ' HIS . . . -104.24 143.88 32.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.0 ttt -139.32 92.36 2.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.148 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.05 -52.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -179.94 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -147.34 168.29 22.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -81.93 156.23 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 85' ' ' TYR . 3.0 tp -87.28 142.41 27.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 60.2 t -124.49 116.89 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 39.0 mt -100.75 120.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -97.53 100.51 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.64 120.38 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -70.93 120.08 15.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -96.96 141.02 22.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.94 112.0 3.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.516 1.798 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 44.38 74.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 146.02 -118.4 1.06 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -176.0 144.63 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.8 t -114.37 148.12 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.7 p-10 -107.0 117.73 34.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.863 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.7 t90 -88.04 107.43 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 108.034 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.24 99.86 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 31' ' ' TRP . 68.0 t -104.25 120.18 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.247 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.556 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-70 -96.74 -26.89 14.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.623 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.82 53.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.487 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -42.2 -51.72 5.2 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.99 -41.67 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -85.08 50.83 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.693 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.6 tp -120.68 138.6 53.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -111.35 156.26 21.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.78 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.9 t80 -56.04 -41.18 74.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -36.62 -47.12 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 91.1 t -55.42 -54.45 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.3 mm? -59.78 -38.04 80.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.81 -25.41 68.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 39.9 t -86.98 -58.86 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' VAL . 25.9 mt -43.86 -45.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -47.61 -35.18 10.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -74.63 -29.72 61.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 52' ' ' LEU . 33.0 t -80.87 -44.14 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 51' ' ' VAL . 7.0 mp -120.43 78.11 27.53 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -20.42 16.92 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.86 1.47 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -143.27 75.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -52.2 135.19 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -128.07 144.63 51.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 1.3 m -113.03 -37.69 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 57' ' ' THR . . . -123.5 175.96 6.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.451 ' CE2' ' CE1' ' A' ' 41' ' ' PHE . 20.8 p90 -157.64 146.99 19.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 28.9 mt-10 -102.75 158.31 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 1.5 p90 -156.6 128.22 7.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.59 125.53 24.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -85.95 -161.57 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.97 -34.07 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.78 29.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 42.91 27.73 0.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -96.25 115.11 26.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -55.94 111.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG22 ' H ' ' A' ' 71' ' ' THR . 3.6 mm -88.14 177.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.708 ' H ' HG22 ' A' ' 70' ' ' ILE . 62.4 m -135.76 125.62 25.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 ' HG2' ' A' ' 78' ' ' MET . 65.8 t -110.89 105.83 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -117.59 13.78 14.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.72 158.39 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.94 -43.31 60.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -46.43 -57.66 4.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.312 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -55.28 -38.4 68.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.616 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.43 -67.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.95 -34.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -69.4 -54.16 15.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 61.2 ttp -52.67 -40.66 63.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.944 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 6.9 mt -73.71 -34.8 64.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t -61.05 -38.25 85.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.6 OUTLIER -73.5 -61.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 111.045 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CE2' HD12 ' A' ' 17' ' ' LEU . 66.9 t80 -37.1 -46.92 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.5 m-85 -72.6 -40.75 66.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.6 t -61.35 -28.99 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -41.33 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.7 t -55.13 -46.65 77.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.715 ' O ' HG13 ' A' ' 94' ' ' VAL . 18.7 ptt? -60.08 -21.96 62.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.4 OUTLIER -83.37 -36.9 23.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.21 -16.51 63.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.258 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.7 mt-30 -86.82 -40.01 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.715 HG13 ' O ' ' A' ' 90' ' ' MET . 1.3 m -66.49 -28.44 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.46 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 154.65 -52.98 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 9.6 pt20 -38.56 151.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.14 156.3 39.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 38.2 mm -75.49 144.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -103.04 150.32 37.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.238 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.02 144.98 30.81 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.425 1.75 . . . . 0.0 111.015 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.482 ' HG ' HG23 ' A' ' 104' ' ' ILE . 13.4 tp -60.45 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' PRO . 62.7 tt0 -60.53 101.68 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 17.4 pt -117.18 157.49 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 44.4 m-85 -125.71 127.04 24.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.84 94.48 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.3 p -74.42 135.01 42.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -149.86 166.22 29.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m 61.0 100.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.053 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 t -84.55 -58.78 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.451 1.094 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 110.46 17.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.74 94.46 4.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.93 144.19 6.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.4 -59.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.763 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.74 157.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.26 104.72 2.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.438 1.086 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.16 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.02 95.25 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.7 m 62.42 77.76 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.097 . . . . 0.0 108.319 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.54 -59.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -68.31 164.64 20.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.93 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -90.97 150.74 21.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -49.24 171.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.1 m -86.84 165.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.77 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.7 tp -96.21 144.44 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.8 t -129.07 111.82 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.695 HG23 HG12 ' A' ' 104' ' ' ILE . 97.6 mt -97.19 120.08 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.636 ' CG ' ' HB1' ' A' ' 28' ' ' ALA . 1.3 ttp180 -98.68 102.91 14.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.696 HG21 HG11 ' A' ' 51' ' ' VAL . 1.3 mp -73.87 102.94 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 96.61 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.595 HG23 ' HD2' ' A' ' 24' ' ' PRO . 16.7 mm -63.47 142.03 97.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.96 128.12 11.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 51.03 36.67 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -157.04 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 110.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.28 -139.61 4.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB1' ' CG ' ' A' ' 20' ' ' ARG . . . -156.68 122.66 4.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 20' ' ' ARG . 16.9 t -89.52 144.94 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -104.1 121.35 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.972 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.6 t90 -90.92 103.33 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 108.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 32' ' ' THR . 2.1 t -60.1 100.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 31' ' ' TRP . 48.6 t -106.97 130.33 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -102.61 -44.84 5.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.48 ' HB3' ' CB ' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -84.45 62.21 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.044 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.29 -54.51 6.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.08 -32.18 5.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -88.35 41.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.857 HD11 ' CH2' ' A' ' 31' ' ' TRP . 32.2 tp -114.97 124.95 52.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -99.04 158.9 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.737 ' O ' HD22 ' A' ' 45' ' ' LEU . 42.6 t80 -57.79 -47.36 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 mmm-85 -54.07 -51.15 65.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 47' ' ' VAL . 9.1 m-20 -43.79 -50.3 7.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 86.9 t -53.49 -45.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.737 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.5 mm? -68.76 -37.4 79.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -64.82 -23.6 67.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.972 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 69.7 t -91.5 -60.6 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' VAL . 42.9 mt -41.61 -47.59 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.21 -41.7 8.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.12 -31.94 72.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG11 HG21 ' A' ' 21' ' ' ILE . 43.9 t -76.2 -40.41 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.611 HD12 HG12 ' A' ' 51' ' ' VAL . 8.4 mp -121.1 77.86 32.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -21.7 15.63 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.791 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.77 3.15 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.8 79.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.9 t -47.34 173.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.454 HG22 HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -162.94 139.98 7.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' CZ ' ' A' ' 41' ' ' PHE . 5.7 m -111.11 -35.32 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.678 ' HB3' ' HE ' ' A' ' 107' ' ' ARG . . . -125.81 174.66 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.516 ' CE1' ' CE1' ' A' ' 41' ' ' PHE . 12.6 p90 -157.8 149.69 22.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 37.6 mt-10 -105.01 156.91 17.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' CE2' ' HB ' ' A' ' 70' ' ' ILE . 2.8 p90 -149.95 131.14 14.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 12.8 mt-10 -61.11 136.03 57.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' CG ' ' N ' ' A' ' 65' ' ' GLU . 10.2 p-10 -99.23 -151.43 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' CG ' ' A' ' 64' ' ' ASP . 11.8 pt-20 -63.67 -51.08 66.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -85.04 13.1 6.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 70.64 19.6 76.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' ILE . 0.9 OUTLIER -72.88 114.9 11.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 21.0 mmt85 -64.03 98.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.662 HG22 ' H ' ' A' ' 71' ' ' THR . 4.8 mm -73.1 175.57 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.662 ' H ' HG22 ' A' ' 70' ' ' ILE . 87.2 m -137.04 119.81 16.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG11 ' HG2' ' A' ' 78' ' ' MET . 62.2 t -104.91 105.94 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -112.06 -1.0 15.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.62 172.43 15.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -63.13 -41.19 99.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.06 -57.2 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -53.35 -41.79 66.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.761 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -53.85 -67.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -42.23 -36.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -64.15 -56.75 12.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 54.8 ttp -51.16 -41.92 60.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -74.37 -36.06 63.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -60.34 -33.81 72.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' SER . 0.7 OUTLIER -78.71 -61.72 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.77 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.3 t80 -36.76 -47.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.2 m-85 -72.28 -40.24 67.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' TYR . 40.1 t -62.15 -29.52 70.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.73 -40.02 9.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 85' ' ' TYR . 3.1 t -55.23 -52.5 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.837 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.3 OUTLIER -53.78 -29.35 39.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' O ' HG22 ' A' ' 94' ' ' VAL . 16.7 mm-40 -75.14 -33.84 61.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 10.6 mt-30 -68.46 -19.98 64.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.858 ' HG2' HD11 ' A' ' 99' ' ' ILE . 6.8 mt-30 -85.59 -47.39 9.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.837 HG13 ' O ' ' A' ' 90' ' ' MET . 2.3 m -60.91 -28.95 44.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 -57.79 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 146.92 -51.17 0.58 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 96' ' ' GLY . 11.2 pt20 -38.43 151.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 mt -73.27 152.96 40.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.858 HD11 ' HG2' ' A' ' 93' ' ' GLN . 44.7 mm -75.6 145.17 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.63 151.6 40.49 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -75.0 138.75 23.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.996 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.792 ' HG ' HG23 ' A' ' 104' ' ' ILE . 35.2 tp -51.3 92.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' PRO . 36.3 tt0 -69.79 89.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.251 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG23 ' HG ' ' A' ' 102' ' ' LEU . 4.3 pt -100.91 -172.46 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.659 ' CZ ' ' CZ ' ' A' ' 69' ' ' ARG . 62.5 m-85 -156.47 126.19 3.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 99.33 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.678 ' HE ' ' HB3' ' A' ' 59' ' ' ALA . 7.5 mtm180 -42.88 -63.34 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.406 ' CA ' ' OG1' ' A' ' 57' ' ' THR . 23.1 t 65.47 148.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.79 156.72 17.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 72.37 4.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.0 m -118.61 168.62 10.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.7 -73.18 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.542 1.151 . . . . 0.0 111.046 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 m 48.57 79.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.747 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.11 104.33 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.93 147.16 17.14 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.51 84.62 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -169.58 149.37 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.95 -116.18 5.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 134.4 17.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.813 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.66 -52.21 3.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -150.82 139.98 21.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.27 127.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtt -144.16 138.74 28.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.15 137.87 1.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -49.58 -52.4 30.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -116.8 169.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 m -116.15 176.5 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.4 tp -97.81 130.8 44.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 84.7 t -120.73 117.88 54.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.618 HG12 HD23 ' A' ' 102' ' ' LEU . 66.3 mt -100.73 128.01 53.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.419 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 23.0 ttt-85 -105.03 103.49 13.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.0 mp -81.55 118.64 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -67.17 122.32 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -98.05 141.25 22.67 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.05 120.76 6.18 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' PRO . 52.7 t-20 40.02 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.01 -71.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.183 . . . . 0.0 109.988 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ALA . . . 173.14 -106.64 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . . . -179.8 156.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -124.25 144.51 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -106.37 120.14 41.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.761 ' CE2' HG21 ' A' ' 47' ' ' VAL . 8.9 t90 -95.85 107.01 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 32' ' ' THR . 7.8 t -65.44 103.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG11 HD23 ' A' ' 17' ' ' LEU . 98.0 t -107.74 126.29 64.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -101.81 -37.93 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.113 . . . . 0.0 109.608 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 38' ' ' GLN . 0.4 OUTLIER -87.19 56.25 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -44.86 -53.3 7.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 10.4 tt0 -97.12 50.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD11 ' CH2' ' A' ' 31' ' ' TRP . 55.1 tp -117.89 140.93 49.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' ' HE2' ' A' ' 78' ' ' MET . 83.4 mt -116.18 163.66 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 38.9 t80 -61.27 -56.1 24.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.9 mmt-85 -44.57 -52.69 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.671 ' O ' HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -40.66 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.415 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 82.0 t -56.88 -48.86 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD22 ' H ' ' A' ' 45' ' ' LEU . 2.8 mm? -64.34 -37.44 87.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -34.62 76.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.761 HG21 ' CE2' ' A' ' 31' ' ' TRP . 58.3 t -80.85 -60.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' VAL . 74.8 mt -45.68 -42.03 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.33 -26.64 7.0 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -89.24 -26.48 21.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.735 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 HD12 ' A' ' 52' ' ' LEU . 23.3 t -79.56 -49.77 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.874 ' HB3' ' HB3' ' A' ' 55' ' ' ALA . 8.2 mp -121.45 77.62 35.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.48 19.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.96 4.85 27.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.874 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -133.18 107.09 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -59.74 150.91 26.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.403 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 59' ' ' ALA . 87.7 m -129.41 -82.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 28.1 m 59.41 15.89 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 168.35 148.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 4.2 p90 -140.23 177.53 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 42.4 mt-10 -129.53 155.83 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 1.5 p90 -150.74 130.13 12.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.33 136.63 58.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t0 -102.9 -153.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.65 -56.46 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.88 24.07 3.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.6 55.58 1.69 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -90.52 2.66 55.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 56.42 101.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.343 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.718 HG22 ' H ' ' A' ' 71' ' ' THR . 5.3 mm -86.02 178.56 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 70' ' ' ILE . 23.7 m -136.97 126.68 25.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 78' ' ' MET . 97.9 t -109.83 100.63 11.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' A' ' 59' ' ' ALA . 2.1 mtt180 -109.5 2.15 20.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -154.46 161.98 41.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -54.2 -43.51 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -46.97 -58.42 3.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -40.13 65.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 110.351 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.446 ' HE2' ' C ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -50.19 -65.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -41.34 -50.48 3.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 83' ' ' SER . . . -52.52 -58.11 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.919 ' SD ' HD21 ' A' ' 102' ' ' LEU . 16.3 tmm? -46.46 -44.04 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD22 ' OH ' ' A' ' 86' ' ' TYR . 4.9 mt -72.25 -28.33 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.81 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.007 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.455 ' CD1' ' OD1' ' A' ' 64' ' ' ASP . 8.0 t80 -95.93 -53.23 3.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 17' ' ' LEU . 59.8 t80 -47.03 -45.64 21.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.766 ' OH ' HD22 ' A' ' 82' ' ' LEU . 19.9 m-85 -72.8 -34.25 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -70.39 -27.51 64.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 -41.67 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 99' ' ' ILE . 4.7 t -52.99 -53.63 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.852 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -56.1 -25.27 44.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 94' ' ' VAL . 28.8 mm-40 -80.54 -31.17 37.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -70.79 -18.02 62.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.853 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.1 mt-30 -88.31 -46.88 8.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 90' ' ' MET . 3.0 m -60.08 -28.42 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -62.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.73 -55.93 0.42 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -43.09 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.79 167.97 20.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.853 HD11 ' HG2' ' A' ' 93' ' ' GLN . 34.7 mm -81.17 145.84 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.52 155.9 36.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.1 Cg_endo -75.03 140.32 25.24 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.919 HD21 ' SD ' ' A' ' 81' ' ' MET . 24.9 tp -59.39 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' PRO . 63.8 tt0 -65.8 110.74 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.54 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 36.8 pt -123.89 159.49 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' CE2' ' HG3' ' A' ' 22' ' ' LYS . 25.1 m-85 -129.01 125.44 22.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.24 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.1 p -158.85 157.28 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.31 -179.68 35.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.75 24.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t 67.01 145.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.0 t -81.38 123.22 28.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 p -159.49 126.48 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.3 150.48 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.957 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.82 126.93 2.62 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -144.75 -56.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 0.743 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -73.55 125.25 27.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.19 81.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 142.66 28.21 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.64 122.62 48.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 t -173.31 109.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -157.4 138.6 13.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.229 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.0 mtt -143.36 -61.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.53 154.51 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -61.04 172.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 16' ' ' VAL . 20.5 pt20 -165.22 148.9 8.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 15' ' ' GLN . 7.3 m 46.8 -169.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 85' ' ' TYR . 4.0 tp -115.2 148.48 39.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -132.12 116.86 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 HD12 ' CE3' ' A' ' 31' ' ' TRP . 20.7 mt -99.61 118.84 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -98.87 98.17 9.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 HD11 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -72.51 119.13 18.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -78.68 97.02 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 24' ' ' PRO . 17.2 mm -63.1 142.65 97.72 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 112.17 3.5 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 51.28 71.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' HB2' HG22 ' A' ' 23' ' ' ILE . 2.6 m -172.69 -99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.057 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.17 -124.53 1.79 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -174.03 126.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.9 t -101.6 147.73 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -106.38 118.61 37.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.887 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 7.0 t90 -89.58 105.88 18.09 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' THR . 7.1 t -64.38 100.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.42 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG11 HD23 ' A' ' 17' ' ' LEU . 76.6 t -99.94 149.2 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -122.25 -41.89 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.58 45.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.15 -52.35 2.73 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.2 Cg_endo -75.02 -34.5 3.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -94.79 38.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD11 ' CH2' ' A' ' 31' ' ' TRP . 30.5 tp -105.76 145.38 31.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' C ' ' HE1' ' A' ' 78' ' ' MET . 88.3 mt -117.01 163.81 15.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.716 ' CE1' HG12 ' A' ' 72' ' ' VAL . 42.7 t80 -62.09 -53.26 58.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -48.6 -50.95 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -41.81 -51.33 4.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 HG22 ' HZ3' ' A' ' 31' ' ' TRP . 65.9 t -54.6 -49.26 68.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD22 ' O ' ' A' ' 41' ' ' PHE . 1.9 mm? -63.94 -31.84 73.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.08 -26.6 63.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.887 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 43.9 t -86.02 -58.78 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mt -44.12 -41.22 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -48.84 -31.5 10.23 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -80.0 -30.86 39.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 52' ' ' LEU . 25.3 t -78.6 -44.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 51' ' ' VAL . 7.6 mp -120.86 77.86 30.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -20.29 17.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.1 tp10 -99.51 -9.79 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -136.12 86.66 2.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 t -51.5 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.2 m -170.43 131.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -122.08 15.96 10.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.377 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.11 158.82 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 6.1 p90 -152.63 165.58 34.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 21.3 mt-10 -114.22 158.56 21.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 81' ' ' MET . 0.9 OUTLIER -150.31 129.79 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.94 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.08 128.15 34.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.513 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 2.8 t70 -94.32 -152.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -71.19 -40.26 71.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' GLY . 0.2 OUTLIER -93.17 16.98 11.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 37.22 56.92 1.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -102.62 4.42 38.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 54.27 99.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 71' ' ' THR . 3.1 mm -82.99 -179.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.742 ' H ' HG22 ' A' ' 70' ' ' ILE . 16.4 m -136.07 119.87 17.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.716 HG12 ' CE1' ' A' ' 41' ' ' PHE . 71.4 t -99.44 107.36 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -111.23 -28.9 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.48 171.34 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -58.15 -29.81 65.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -54.52 42.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.5 mt-10 -62.93 -37.95 89.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.509 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -54.4 -69.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -42.9 -40.41 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -60.86 -57.45 12.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 51.0 ttp -48.31 -42.28 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.64 -44.51 56.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.5 t -52.77 -29.89 29.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -83.85 -62.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.661 ' CE2' HD12 ' A' ' 17' ' ' LEU . 69.1 t80 -36.84 -47.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -72.57 -42.93 64.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.2 t -59.54 -28.78 67.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -43.24 7.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -51.84 -52.35 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.827 ' O ' HG13 ' A' ' 94' ' ' VAL . 1.1 ppp? -55.62 -29.75 59.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 90' ' ' MET . 34.5 mt-10 -75.82 -30.09 58.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -70.03 -22.73 63.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.773 ' HG2' HD11 ' A' ' 99' ' ' ILE . 13.7 mt-30 -83.91 -47.93 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 90' ' ' MET . 2.4 m -61.38 -29.16 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -66.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.85 -56.09 0.33 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -39.09 156.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 0.793 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -76.71 167.29 22.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.773 HD11 ' HG2' ' A' ' 93' ' ' GLN . 25.2 mm -87.77 145.53 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -108.74 153.2 42.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.3 Cg_endo -74.99 140.73 25.8 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.457 HD21 ' CE ' ' A' ' 81' ' ' MET . 23.3 tp -57.16 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' PRO . 41.6 tt0 -67.12 111.16 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 35.8 pt -118.28 -170.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 35.6 m-85 -159.01 122.58 2.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.73 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.9 mtp-105 -45.28 -60.13 2.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.1 m 81.19 119.33 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.18 -154.74 8.16 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 165.67 30.79 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.479 1.779 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.41 145.37 39.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.976 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m 58.8 171.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -138.2 157.35 46.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.974 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.66 143.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 -95.18 0.65 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 p 58.61 168.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 0.726 . . . . 0.0 110.066 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 p -75.9 171.18 14.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.64 176.6 20.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 68.63 5.73 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.51 121.12 17.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -76.61 -34.99 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 108.27 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.9 157.74 15.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.8 ptp -177.92 51.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.05 67.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 t30 179.18 161.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -64.19 171.15 3.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.76 160.57 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 85' ' ' TYR . 2.5 tp -84.04 147.24 27.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 30' ' ' ASP . 92.3 t -132.28 113.56 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.505 ' CG2' ' CD1' ' A' ' 104' ' ' ILE . 70.8 mt -96.46 116.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -93.38 110.97 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.407 HG23 ' HG3' ' A' ' 106' ' ' PRO . 0.6 OUTLIER -91.67 113.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.7 103.22 2.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.636 HG23 ' HD2' ' A' ' 24' ' ' PRO . 25.5 mm -71.73 142.26 85.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.04 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m120 49.05 69.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.565 ' HB2' HG22 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -170.27 -62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.52 -121.5 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . . . -169.21 138.06 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.05 152.65 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 3.9 p-10 -113.32 116.03 29.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.894 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.2 t90 -88.98 104.06 16.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 t -64.22 99.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 39' ' ' LEU . 85.3 t -101.73 123.67 55.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -97.53 -28.52 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.579 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.85 52.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.478 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -39.31 -52.11 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.4 Cg_endo -74.99 -46.15 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.99 54.33 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 31' ' ' TRP . 53.3 tp -123.47 136.68 54.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt -112.74 158.68 19.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.62 ' CE1' HG12 ' A' ' 72' ' ' VAL . 47.0 t80 -56.11 -56.45 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -45.73 -57.99 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 42' ' ' ARG . 4.0 m-20 -36.84 -50.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.552 ' HA ' ' CZ3' ' A' ' 31' ' ' TRP . 61.8 t -54.36 -52.6 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 41' ' ' PHE . 1.8 mm? -60.38 -35.44 75.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -66.0 -29.06 69.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.894 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 46.0 t -83.49 -59.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 mt -45.51 -38.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.27 -31.21 34.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.28 -28.35 38.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.302 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 52' ' ' LEU . 67.0 t -80.38 -44.2 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 51' ' ' VAL . 6.9 mp -120.65 77.72 28.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.84 16.44 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.1 tt0 -100.77 -6.42 24.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' HD23 ' A' ' 52' ' ' LEU . . . -137.98 78.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 t -48.01 175.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' HD12 ' A' ' 45' ' ' LEU . 1.1 m -164.14 132.85 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.411 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 58' ' ' THR . 22.7 m -122.05 18.75 10.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 178.35 157.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 60' ' ' PHE . 2.1 p90 -152.23 151.49 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 70' ' ' ILE . 25.8 mt-10 -101.55 154.87 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.608 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -146.74 126.98 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HG3' ' CD ' ' A' ' 69' ' ' ARG . 6.6 mt-10 -59.0 130.33 46.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 70' ' ' ILE . 5.9 p-10 -96.81 -163.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.24 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -64.46 -14.19 55.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.27 64.01 3.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -111.59 4.0 18.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' CD ' ' HG3' ' A' ' 63' ' ' GLU . 14.2 mmt85 59.17 101.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 71' ' ' THR . 3.0 mm -84.04 -178.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.762 ' H ' HG22 ' A' ' 70' ' ' ILE . 17.4 m -136.84 123.81 21.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.385 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.652 HG11 ' HG2' ' A' ' 78' ' ' MET . 81.4 t -105.67 106.45 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.0 mtp-105 -116.17 -11.65 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.25 160.45 41.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -49.21 -40.53 33.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.19 -59.38 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 2.0 mt-10 -56.17 -40.63 74.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.652 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -52.57 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -41.68 -42.78 2.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.8 -57.56 12.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' TYR . 58.9 ttp -50.7 -42.33 56.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.587 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 10.3 mt -70.99 -42.07 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -57.99 -48.38 80.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -62.8 -61.92 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 17' ' ' LEU . 67.8 t80 -38.29 -45.78 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 82' ' ' LEU . 21.4 m-85 -72.76 -47.95 42.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -28.54 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -45.75 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 99' ' ' ILE . 3.0 t -50.46 -49.35 24.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.799 ' O ' HG13 ' A' ' 94' ' ' VAL . 20.7 ptt? -57.98 -27.39 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.635 ' O ' HG22 ' A' ' 94' ' ' VAL . 40.7 mm-40 -79.28 -27.94 42.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.497 ' HB2' HD13 ' A' ' 99' ' ' ILE . 29.3 mt-30 -70.75 -23.4 62.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.908 ' HG2' HD11 ' A' ' 99' ' ' ILE . 10.1 mt-30 -82.69 -45.95 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 90' ' ' MET . 2.7 m -57.19 -25.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.72 -54.84 4.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 97' ' ' GLN . . . 141.96 -49.59 0.75 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 96' ' ' GLY . 8.9 pt20 -38.58 149.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.18 151.37 46.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.908 HD11 ' HG2' ' A' ' 93' ' ' GLN . 30.3 mm -73.89 146.06 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.24 153.11 39.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.4 Cg_endo -74.91 149.89 37.8 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.466 HD21 ' CE ' ' A' ' 81' ' ' MET . 13.3 tp -64.48 77.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 37.2 tt0 -55.06 114.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' ' CG2' ' A' ' 19' ' ' ILE . 8.1 pt -129.11 -176.19 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 104' ' ' ILE . 74.9 m-85 -152.9 123.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HG3' HG23 ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.97 106.06 2.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 109.01 7.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.4 p -108.03 -59.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 122.32 -178.22 16.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.5 p -88.23 158.07 18.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m -51.95 164.06 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -127.72 -58.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.98 153.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.05 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 -148.06 7.02 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -166.21 89.2 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -73.3 -58.29 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.7 158.9 16.21 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 117.81 8.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -126.44 147.68 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.292 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.92 173.05 17.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.81 -71.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.47 176.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -68.42 -54.23 18.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -116.89 155.53 28.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.4 m -118.03 160.56 17.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.768 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.2 tp -107.07 144.98 32.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -125.7 108.46 19.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 17' ' ' LEU . 83.9 mt -98.36 124.6 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.69 95.73 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 104' ' ' ILE . 4.1 mp -67.98 128.88 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -70.8 131.74 44.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.636 HD13 HD11 ' A' ' 52' ' ' LEU . 1.5 mm -113.5 141.16 25.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.03 129.49 12.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' PRO . 5.5 m120 39.94 51.99 2.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -178.72 146.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 23' ' ' ILE . . . -47.61 155.18 1.11 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.34 29.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.99 146.65 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.44 120.95 43.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.895 ' CZ2' HG21 ' A' ' 47' ' ' VAL . 9.5 t90 -91.07 105.43 17.81 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.45 100.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 31' ' ' TRP . 21.7 t -105.77 127.67 60.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -102.66 -33.69 9.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.6 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.19 49.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.481 ' N ' ' CD ' ' A' ' 37' ' ' PRO . . . -40.56 -51.55 3.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 36' ' ' GLY . 18.3 Cg_endo -75.0 -42.41 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.429 1.752 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -86.01 52.42 2.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD11 ' HH2' ' A' ' 31' ' ' TRP . 29.2 tp -119.85 141.78 49.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' C ' ' HE1' ' A' ' 78' ' ' MET . 31.8 mt -116.3 157.41 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.235 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 45' ' ' LEU . 48.0 t80 -55.59 -45.15 77.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -54.58 -59.04 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 47' ' ' VAL . 1.4 m-20 -36.58 -48.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 41' ' ' PHE . 91.9 t -55.31 -53.86 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 41' ' ' PHE . 2.4 mm? -59.63 -41.12 89.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.72 -25.78 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.895 HG21 ' CZ2' ' A' ' 31' ' ' TRP . 42.4 t -86.82 -60.05 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.54 HD13 HG21 ' A' ' 57' ' ' THR . 33.6 mt -44.0 -44.76 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.17 -32.04 4.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -80.58 -32.27 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.896 HG12 HD12 ' A' ' 52' ' ' LEU . 34.9 t -76.15 -53.37 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD12 HG12 ' A' ' 51' ' ' VAL . 7.7 mp -121.13 78.21 33.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -19.77 17.52 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 11.6 tp10 -94.85 -9.36 34.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . . . -129.55 108.93 10.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 57' ' ' THR . 1.1 t -59.57 -179.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' ' 106' ' ' PRO . 42.7 m -147.1 -79.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.675 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.9 m 64.53 12.26 7.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 58' ' ' THR . . . 164.06 154.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 105' ' ' PHE . 2.2 p90 -143.2 177.6 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 31.4 mt-10 -128.39 156.01 43.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 0.9 OUTLIER -149.04 125.95 11.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 69' ' ' ARG . 5.5 mt-10 -55.83 130.56 44.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.661 ' CG ' HD11 ' A' ' 70' ' ' ILE . 9.5 p-10 -98.36 -172.8 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -53.09 -49.16 66.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.52 -17.88 61.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.68 62.23 3.96 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.46 2.0 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' CZ ' ' HG3' ' A' ' 63' ' ' GLU . 10.5 mmt180 61.16 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.723 HG22 ' H ' ' A' ' 71' ' ' THR . 2.7 mm -77.68 179.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 70' ' ' ILE . 31.1 m -132.67 129.65 39.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG11 ' HG2' ' A' ' 78' ' ' MET . 48.8 t -112.82 109.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.42 -27.62 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -132.7 168.87 17.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.3 -31.24 65.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.354 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -47.89 73.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 4.0 mt-10 -69.35 -36.51 76.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.531 ' HG2' HG11 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -55.27 -65.64 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -45.26 -30.18 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -71.31 -54.95 9.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.523 ' HG3' ' CG ' ' A' ' 62' ' ' TYR . 52.9 ttp -51.91 -40.76 61.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.661 HD22 ' OH ' ' A' ' 86' ' ' TYR . 6.4 mt -74.42 -28.75 61.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 m -67.76 -18.42 64.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.28 -48.32 6.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.768 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.2 t80 -48.84 -48.58 41.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.661 ' OH ' HD22 ' A' ' 82' ' ' LEU . 14.8 m-85 -72.08 -37.8 69.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.5 t -64.09 -29.18 70.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 89' ' ' VAL . 1.0 OUTLIER -96.36 -44.97 6.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.386 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 85' ' ' TYR . 5.7 t -49.84 -46.15 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.815 ' O ' HG13 ' A' ' 94' ' ' VAL . 14.3 ptt? -61.5 -25.32 67.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 94' ' ' VAL . 3.0 mm-40 -80.91 -30.33 35.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -69.77 -19.21 63.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.948 ' HG2' HD11 ' A' ' 99' ' ' ILE . 7.4 mt-30 -87.62 -43.66 11.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 90' ' ' MET . 2.6 m -66.53 -31.42 53.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.23 -45.96 68.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.21 28.79 2.72 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.123 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -119.46 160.7 21.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 0.733 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.1 150.85 45.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.948 HD11 ' HG2' ' A' ' 93' ' ' GLN . 35.0 mm -81.52 144.16 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -106.92 151.99 40.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 103' ' ' GLN . 18.2 Cg_endo -75.0 145.4 31.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' ILE . 13.6 tp -58.32 85.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 101' ' ' PRO . 44.0 tt0 -62.58 98.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.562 HD11 HG13 ' A' ' 21' ' ' ILE . 19.4 pt -109.53 170.11 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' PHE . 50.3 m-85 -141.27 125.08 10.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.563 ' HA ' HG23 ' A' ' 57' ' ' THR . 18.3 Cg_endo -75.02 101.15 1.44 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.474 1.776 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.98 99.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.5 p -83.01 116.15 22.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.998 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -168.86 -173.98 37.07 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.94 15.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 m -96.71 117.29 30.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.4 t 60.78 146.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.975 . . . . . . . . 0 0 . 1 stop_ save_