data_1wez_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 1wez _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 ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 46' ' ' ILE . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.661 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.661 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 32' ' ' ILE . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG12 ' CZ ' ' A' ' 62' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.556 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.481 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.664 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.664 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.496 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.457 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.509 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.58 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 88' ' ' LEU . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.549 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.47 ' HE2' ' CD2' ' A' ' 86' ' ' LEU . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD2' ' CE ' ' A' ' 79' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 4.7 t60 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.574 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 23.6 t60 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD2' ' HE2' ' A' ' 20' ' ' MET . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.479 ' HB2' ' CA ' ' A' ' 58' ' ' ALA . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HG ' ' CG1' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.667 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.667 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' CA ' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.546 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.577 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 23' ' ' LEU . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.607 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' CD2' ' HE2' ' A' ' 20' ' ' MET . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 29.0 t60 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.57 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 66' ' ' GLU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.575 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.411 HD21 ' CE ' ' A' ' 20' ' ' MET . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 1.1 m-70 -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.529 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 46' ' ' ILE . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CZ ' ' HE1' ' A' ' 20' ' ' MET . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' CD ' ' NE ' ' A' ' 21' ' ' ARG . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG12 ' CZ ' ' A' ' 62' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.496 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.575 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD2' ' HE1' ' A' ' 79' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 36' ' ' PHE . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' HD21 ' A' ' 86' ' ' LEU . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.66 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.66 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.434 ' HE1' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.51 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' CE1' ' A' ' 36' ' ' PHE . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.526 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.664 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.664 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 36' ' ' PHE . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 68' ' ' ALA . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.57 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HE3' ' A' ' 79' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.655 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 27.8 t60 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.469 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.517 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.411 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.542 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.45 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.512 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' HG23 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.655 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.503 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.582 HG23 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.612 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 31.4 t60 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG21 ' NE2' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 72' ' ' MET . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' CG1' ' A' ' 32' ' ' ILE . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD22 ' CB ' ' A' ' 68' ' ' ALA . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.481 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.423 ' CD1' HD12 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 71' ' ' ALA . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.662 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.662 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.423 HD12 ' CD1' ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.663 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 88' ' ' LEU . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 73' ' ' ALA . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 69' ' ' VAL . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.511 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HE2' ' A' ' 79' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 29' ' ' GLU . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' CD1' HD12 ' A' ' 46' ' ' ILE . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 71' ' ' ALA . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.658 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.3 t60 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' GLU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' CE ' ' A' ' 20' ' ' MET . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.556 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.428 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 36' ' ' PHE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.657 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.657 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.527 ' CE1' HD13 ' A' ' 88' ' ' LEU . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' MET . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.403 ' CG1' ' SD ' ' A' ' 20' ' ' MET . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.435 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.458 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' CE ' ' A' ' 79' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 60' ' ' VAL . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.669 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.669 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 32' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 37.1 t60 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.41 ' CB ' HD12 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.539 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.451 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 69' ' ' VAL . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' CE ' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.647 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.571 HG22 ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 69' ' ' VAL . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.444 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.527 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.516 ' CD2' ' CE ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.409 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE2' ' HE2' ' A' ' 20' ' ' MET . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.657 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.657 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' MET . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ALA . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.516 ' CE ' ' CD2' ' A' ' 23' ' ' LEU . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 69' ' ' VAL . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.594 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HE1' ' A' ' 79' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.414 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 72' ' ' MET . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 2.0 m-70 -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.457 ' HB2' ' N ' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.438 ' CD1' HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.616 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.616 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.438 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' HB2' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 33.6 t60 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.669 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 81' ' ' HIS . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.406 ' CG ' ' OH ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.45 92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -108.44 -57.81 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.71 144.8 6.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 77.38 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -84.86 151.32 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.64 -151.53 7.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -128.28 146.08 50.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 161.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.13 -57.25 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 42.41 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -42.12 116.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.6 p -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -153.02 -43.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.12 -52.88 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' CD1' HD13 ' A' ' 46' ' ' ILE . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.661 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.478 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.661 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 32' ' ' ILE . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.29 124.25 28.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.19 138.79 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.88 -87.23 0.18 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -82.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.68 32.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.76 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HB2' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.84 125.28 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.35 170.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG12 ' CZ ' ' A' ' 62' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.556 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . 62.36 137.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.63 -133.6 2.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -115.48 151.79 34.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 110.425 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -160.8 166.31 28.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.25 112.47 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -121.76 134.16 54.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.4 -171.71 12.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.31 24.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 p 40.61 86.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 105.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -41.91 136.15 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.63 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -173.89 30.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.67 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -116.32 149.54 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.47 -131.8 3.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -118.71 -57.6 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 148.75 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.4 156.41 24.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 135.36 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 p -81.05 106.72 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 14' ' ' THR . 41.3 p -148.45 177.66 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 13' ' ' THR . 21.6 p 43.04 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.82 -37.56 0.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.664 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.664 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.496 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.471 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.25 108.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' CD1' HG13 ' A' ' 54' ' ' VAL . 44.0 mm -104.08 138.26 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.4 -179.7 41.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 71.61 4.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 166.61 -48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.93 -32.72 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -57.51 134.03 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 48' ' ' ILE . 3.7 m -65.48 148.81 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.43 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 171.15 -92.16 0.1 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.2 t -166.98 132.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.739 . . . . 0.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 156.78 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.87 -123.24 0.85 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 62.99 128.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.2 153.64 25.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.52 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.4 m -144.86 109.05 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.6 p -50.56 139.74 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -148.5 143.8 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -110.84 150.2 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 179.05 21.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -159.94 111.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.18 155.31 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 121.33 0.61 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.82 164.45 37.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.04 139.3 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 25.5 t80 54.11 101.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.06 97.14 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 33.3 t -88.17 138.75 31.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -141.61 -57.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -129.04 -71.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.74 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.464 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.509 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 HD12 ' CD1' ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.58 116.74 10.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -106.03 146.99 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -177.14 51.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 171.78 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.49 -27.96 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 153.9 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -80.52 151.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.58 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.549 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 88' ' ' LEU . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.549 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.82 179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.45 -70.46 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.4 p -84.95 177.41 7.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 86.2 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.93 82.64 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.7 p -114.6 172.92 6.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.65 95.69 0.56 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.71 30.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.3 t -177.85 150.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.52 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -133.32 129.31 37.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.0 -173.33 18.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.48 -58.36 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t 43.29 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.11 156.43 26.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 96.61 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.06 154.24 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 12' ' ' SER . 53.7 t80 -81.22 142.42 33.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -147.87 71.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.522 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . 24.6 p -60.38 112.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -96.51 -69.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -107.81 -52.5 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.17 -47.32 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 60' ' ' VAL . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HE2' ' CD2' ' A' ' 86' ' ' LEU . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD2' ' CE ' ' A' ' 79' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 4.7 t60 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.86 115.44 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.8 mm -98.26 140.85 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -176.72 51.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -177.93 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 156.97 -35.64 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 2.8 mmt180 -66.69 155.76 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 m -58.06 176.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.574 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.436 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 23.6 t60 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.538 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD2' ' HE2' ' A' ' 20' ' ' MET . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.89 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.43 -139.99 3.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -78.17 157.32 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.3 165.04 34.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.25 148.36 5.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.29 164.35 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.99 -84.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.56 13.42 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.8 p -70.72 159.2 34.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.58 168.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -98.63 158.47 15.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -168.74 129.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.13 133.51 1.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -62.08 111.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -89.0 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 91.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -175.56 -58.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.12 98.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -130.0 148.98 51.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -141.27 124.54 16.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -93.41 105.03 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.0 p -146.39 -57.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -116.57 -48.06 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -45.83 1.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.479 ' HB2' ' CA ' ' A' ' 58' ' ' ALA . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HG ' ' CG1' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.667 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.667 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.66 118.17 23.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -98.84 132.31 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.72 -89.37 0.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.01 51.16 2.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.6 m-20 37.58 41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.92 -54.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -88.1 162.3 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.36 157.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' CA ' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.546 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.577 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 23' ' ' LEU . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.607 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.475 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' CD2' ' HE2' ' A' ' 20' ' ' MET . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.573 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.3 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.19 119.12 0.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.5 p -134.96 165.55 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 p -171.3 129.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.99 -111.36 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 t 67.23 152.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 179.66 39.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.82 9.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.3 m -65.96 -60.81 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 89.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.62 -58.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -98.0 98.8 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.18 -116.4 0.36 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -86.74 -59.95 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.54 82.09 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 133.92 3.93 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.441 1.088 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -175.03 101.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 71.08 131.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.76 139.85 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -146.78 113.74 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -67.11 128.56 36.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -88.92 -57.56 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -130.31 -52.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.35 -52.97 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.512 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.575 ' CD1' ' CB ' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.07 121.39 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.3 mm -102.85 149.49 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.262 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.68 -176.68 46.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.421 1.075 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.72 6.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 170.41 -51.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.0 -35.07 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -55.73 133.96 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.28 170.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.498 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 29.0 t60 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.57 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 66' ' ' GLU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.575 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.411 HD21 ' CE ' ' A' ' 20' ' ' MET . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.04 161.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.71 -108.35 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.2 t -114.3 159.28 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 t -120.71 148.91 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.26 165.08 14.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.75 140.04 24.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.66 75.24 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.59 43.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 159.33 19.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.48 122.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -107.35 90.72 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 147.56 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 147.45 6.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -103.28 150.05 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -167.37 149.92 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.4 -105.65 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -103.24 157.1 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.7 p 50.28 97.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 34.4 t80 -50.69 161.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.16 114.92 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 13' ' ' THR . 68.2 p -61.26 -66.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 14' ' ' THR . 30.5 p 49.93 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 13' ' ' THR . 65.0 p 40.41 95.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.76 -34.51 1.88 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 1.1 m-70 -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 14' ' ' THR . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.529 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 46' ' ' ILE . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CZ ' ' HE1' ' A' ' 20' ' ' MET . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.654 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.654 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -65.04 123.76 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.6 mm -99.96 145.4 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.78 -89.03 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -74.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -161.56 33.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.68 -65.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -47.2 160.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.15 164.62 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' CD ' ' NE ' ' A' ' 21' ' ' ARG . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG12 ' CZ ' ' A' ' 62' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.496 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.569 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.43 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.43 172.48 14.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.67 131.83 43.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 m -134.58 134.44 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.75 66.65 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.4 p -136.93 104.11 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.88 169.12 22.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 m 56.41 89.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.15 119.23 33.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.39 158.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -115.83 138.23 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.99 -156.58 32.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -153.35 -57.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -150.81 144.19 24.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 164.99 20.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.84 161.34 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -136.86 -47.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 2.1 t80 -55.82 -52.54 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.5 mt-30 71.87 -63.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER 85.18 -48.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 14' ' ' THR . 69.7 p -83.41 175.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 61' ' ' GLU . 33.1 p 39.74 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.6 65.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.575 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD2' ' HE1' ' A' ' 79' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 HG21 ' CD2' ' A' ' 36' ' ' PHE . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.549 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' HD21 ' A' ' 86' ' ' LEU . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.66 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.66 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.27 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.8 mm -101.49 142.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -69.38 -97.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.01 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 7.5 t70 37.45 38.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' GLY . 8.3 mtm180 -101.52 149.61 23.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 m -68.57 154.37 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG23 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' OG1' ' A' ' 14' ' ' THR . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.569 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.434 ' HE1' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.51 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 HD21 ' CE1' ' A' ' 36' ' ' PHE . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.51 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.96 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.21 67.26 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -119.17 143.92 46.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.7 p -164.48 142.6 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.81 162.72 11.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -140.26 160.24 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.956 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 157.65 18.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.69 6.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.9 p 46.18 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -76.33 92.86 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.92 159.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.28 127.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 93.69 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 m 50.31 93.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.054 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -114.72 117.19 30.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.95 153.93 3.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 t -75.35 151.13 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -171.1 161.76 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 1.4 t80 57.1 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.4 tt0 -171.04 43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.3 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.5 p -123.0 -62.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.7 p -122.41 -61.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.46 -47.29 0.88 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.526 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.664 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.664 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 0.8 OUTLIER -80.52 129.2 34.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ARG . 9.1 mm -129.16 141.74 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.89 -94.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -177.73 38.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.83 -77.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' O ' ' CG2' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -57.52 154.16 11.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.13 146.57 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.475 ' CG2' ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG21 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 36' ' ' PHE . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 68' ' ' ALA . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.24 171.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.42 156.67 23.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.6 p -95.25 124.09 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -102.06 157.13 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.96 141.35 15.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 t -145.34 152.07 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.07 135.37 24.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.06 68.39 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 m -142.9 157.7 44.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -137.17 91.02 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 161.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 71.74 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -94.3 153.35 18.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.727 . . . . 0.0 110.061 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -118.25 -50.41 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 68.69 -71.02 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m 60.89 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' GLY . 78.5 p -104.0 161.49 13.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.54 146.28 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.43 157.64 45.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.2 p -112.43 106.76 15.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.4 p -123.87 -41.61 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.3 p -153.14 98.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.93 -38.63 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.57 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' CD2' ' HE3' ' A' ' 79' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.57 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.655 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.1 124.51 22.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.59 139.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.64 -90.19 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -173.51 35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.75 -65.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.99 152.62 5.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.17 156.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.526 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 27.8 t60 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.526 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' ASP . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.517 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.411 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.542 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.27 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.36 85.88 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.0 t -167.03 123.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 -171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.3 -155.85 6.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.85 136.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.55 157.6 15.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.15 23.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -88.66 156.34 19.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 0.0 109.987 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -115.78 153.53 31.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.05 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -112.49 141.34 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.66 155.76 27.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.02 36.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.6 161.99 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -74.54 128.19 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.04 -169.68 28.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -153.74 95.84 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.27 134.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -63.65 125.43 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -138.03 91.21 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 p -43.55 147.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.6 p -140.77 -57.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.3 p -154.54 99.29 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.445 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.14 -37.37 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.512 ' HE1' ' CZ ' ' A' ' 36' ' ' PHE . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' HG23 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.655 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.503 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CG1' ' HG3' ' A' ' 29' ' ' GLU . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.83 129.83 44.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 52' ' ' GLY . 50.0 mm -103.96 130.6 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.11 -88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -74.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.65 35.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 48' ' ' ILE . . . -174.71 -39.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -97.77 146.89 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m -74.6 157.2 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.582 HG23 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.612 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 31.4 t60 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.513 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG21 ' NE2' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 72' ' ' MET . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' CG1' ' A' ' 32' ' ' ILE . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD22 ' CB ' ' A' ' 68' ' ' ALA . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.1 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.61 -128.99 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -110.42 148.34 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -174.5 123.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.76 6.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t 71.78 110.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -174.25 23.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.803 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.97 -59.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.4 142.28 39.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -145.38 -58.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.73 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.29 121.06 3.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -104.75 0.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -39.57 121.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 111.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -131.24 1.34 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -144.77 -47.3 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.7 t -151.64 -69.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 78.9 t80 -122.35 170.56 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER 175.36 107.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -64.0 154.87 32.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -138.1 -61.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -114.33 -66.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.71 -46.48 1.07 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.481 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 ' CD1' HD12 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 71' ' ' ALA . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.662 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.662 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.423 HD12 ' CD1' ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -91.12 117.81 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.9 mm -101.97 127.03 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 55' ' ' THR . . . -67.02 -97.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 48.19 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 17.5 m-20 38.76 43.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.61 -53.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -113.74 140.6 48.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.75 176.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 49' ' ' GLY . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.53 HG22 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' HB2' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.449 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.86 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 157.45 -68.69 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -166.07 142.05 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.777 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 t -171.44 163.96 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.47 132.64 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 t -154.14 148.43 25.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.63 174.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.75 5.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 160.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -179.86 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 45.28 81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.78 -59.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.35 149.13 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m -153.8 172.59 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.62 134.76 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 86.74 1.01 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.84 160.02 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 t -174.43 165.03 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 11.6 t80 -64.91 134.49 54.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.37 55.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.6 p 46.57 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.2 p -101.25 -157.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -45.56 -43.94 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.78 -49.46 0.93 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.458 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.422 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.663 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.663 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.514 ' CD1' ' CD1' ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -65.88 122.08 16.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.0 mm -109.11 133.91 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -76.07 -91.99 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 51.68 2.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' PRO . 57.6 m-20 38.44 33.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' PRO . . . -157.76 -54.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 49' ' ' GLY . 5.3 mtt180 -91.27 151.15 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.93 156.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 49' ' ' GLY . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG22 ' CD2' ' A' ' 88' ' ' LEU . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 73' ' ' ALA . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.409 ' CD2' HG22 ' A' ' 69' ' ' VAL . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.91 -170.58 28.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.1 t -129.46 66.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.432 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.71 -174.42 17.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -155.46 -56.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 147.47 22.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.41 24.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.64 -65.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.17 137.78 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -172.34 73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -71.26 139.2 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.84 154.55 16.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.41 82.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -133.43 143.15 48.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 112.8 2.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p 49.04 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -123.82 115.59 21.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 0.3 OUTLIER -166.69 147.42 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.84 -66.77 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 45.1 p 176.88 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.34 -71.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.471 HG22 ' CE ' ' A' ' 42' ' ' MET . 3.7 p -112.35 -50.68 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.88 -57.39 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.511 ' HB2' ' CB ' ' A' ' 58' ' ' ALA . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' ' HE2' ' A' ' 79' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.414 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 29' ' ' GLU . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' CD1' HD12 ' A' ' 46' ' ' ILE . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 71' ' ' ALA . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.658 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.658 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.471 ' CE ' HG22 ' A' ' 14' ' ' THR . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.47 123.97 23.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.71 139.09 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.16 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -167.68 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.51 -55.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtt-85 -63.01 165.52 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.44 167.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.508 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.3 t60 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 66' ' ' GLU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.564 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' CE ' ' A' ' 20' ' ' MET . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.464 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 52.76 175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.95 155.73 9.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -159.55 165.62 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.7 p -117.76 115.16 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.05 107.16 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.8 p -154.51 108.59 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.43 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.3 p -136.74 -58.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.953 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.46 106.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -123.03 -58.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 p -121.43 114.47 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.2 152.7 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.04 85.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -50.48 159.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.6 102.56 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -154.28 98.89 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -70.91 114.98 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -81.44 156.23 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.07 144.78 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -95.62 103.94 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 p -114.74 160.74 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p 52.62 102.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.75 -27.43 1.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.556 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 36' ' ' PHE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.657 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.657 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 ' CD1' ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.28 123.68 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 mm -110.69 152.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.23 -177.04 48.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.77 4.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -177.64 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.89 -35.4 0.27 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -53.22 147.83 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.84 158.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.527 ' CE1' HD13 ' A' ' 88' ' ' LEU . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.49 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' MET . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.58 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.403 ' CG1' ' SD ' ' A' ' 20' ' ' MET . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' CD2' ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.551 ' CD1' ' CB ' ' A' ' 68' ' ' ALA . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 51.86 177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 94' ' ' THR . . . -119.01 106.43 1.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 93' ' ' GLY . 9.0 t 46.83 -162.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 0.737 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.44 ' N ' ' OG1' ' A' ' 94' ' ' THR . 0.5 OUTLIER 164.79 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.69 122.68 1.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t -156.25 156.61 34.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.55 91.67 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.31 7.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -59.25 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -134.94 126.6 28.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -50.53 121.73 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 86.86 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.95 -100.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -157.44 152.79 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 75.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.38 85.58 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -102.8 151.01 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -152.05 158.98 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.51 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -58.92 149.59 26.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.5 p -134.96 -46.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -127.57 -71.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.42 -39.01 0.55 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.435 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.458 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' CE ' ' A' ' 79' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CE2' HG21 ' A' ' 60' ' ' VAL . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.669 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.669 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 32' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -95.61 135.67 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 HD12 ' CG2' ' A' ' 46' ' ' ILE . 4.5 mm -135.62 125.55 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -86.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.02 3.32 5.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 81.44 27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' N ' ' CG2' ' A' ' 48' ' ' ILE . . . -140.63 -44.51 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 141.95 43.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 48' ' ' ILE . 3.4 m -72.29 153.27 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 37.1 t60 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG21 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.41 ' CB ' HD12 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.539 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.451 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD2' ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.441 ' CD2' HG21 ' A' ' 69' ' ' VAL . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.7 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.83 -69.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 94' ' ' THR . 1.7 t -115.55 112.2 21.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -85.81 -60.01 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.6 -178.83 41.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.5 p -154.83 156.96 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.88 -170.52 20.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 m 60.34 106.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -75.01 125.43 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.63 137.37 53.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -69.48 124.12 23.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.71 -166.1 3.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -146.66 167.22 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.74 97.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.12 64.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -99.3 112.19 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -121.11 109.88 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.0 138.93 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -141.14 110.12 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -45.62 144.87 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.531 ' C ' ' CG2' ' A' ' 14' ' ' THR . 35.0 p -125.83 163.95 21.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.531 ' CG2' ' C ' ' A' ' 13' ' ' THR . 1.0 OUTLIER 68.13 -57.82 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 138.14 -51.92 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.44 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' CB ' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' CE ' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.647 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.571 HG22 ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.56 120.37 17.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.3 mm -102.37 130.86 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.35 -90.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -70.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -169.44 36.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.11 -59.91 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -59.95 156.29 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.59 170.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 23' ' ' LEU . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' HD23 ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 69' ' ' VAL . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.71 -175.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.81 56.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 p -84.86 112.81 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -167.87 153.33 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.07 -136.63 12.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.2 m 72.6 -61.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.78 102.72 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 72.62 4.62 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 139.18 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -100.88 -65.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -147.9 126.66 12.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.55 -115.59 0.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -139.23 103.59 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.29 135.03 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.79 -136.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -161.49 -59.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.09 168.26 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 20.4 t80 -63.97 159.13 20.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.1 mt-30 -137.27 136.37 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 13' ' ' THR . 7.7 t -127.65 178.9 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 12' ' ' SER . 0.5 OUTLIER 168.48 -31.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 13' ' ' THR . 2.5 p -112.54 -45.8 3.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.04 -46.75 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.444 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.527 ' HE2' ' CE2' ' A' ' 36' ' ' PHE . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.516 ' CD2' ' CE ' ' A' ' 79' ' ' MET . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.409 ' HB3' ' CG ' ' A' ' 82' ' ' ARG . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.486 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CE2' ' HE2' ' A' ' 20' ' ' MET . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.657 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.657 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 42' ' ' MET . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CD1' ' CD1' ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 -62.02 126.29 26.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 49' ' ' GLY . 34.0 mm -103.2 138.07 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' N ' HG23 ' A' ' 48' ' ' ILE . . . -69.57 -89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.06 -86.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.44 37.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.73 -50.51 0.15 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HB2' ' CD ' ' A' ' 50' ' ' PRO . 34.0 mtm180 -65.18 152.42 43.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -90.3 166.14 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 73' ' ' ALA . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' CB ' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.493 ' HB3' ' CB ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.516 ' CE ' ' CD2' ' A' ' 23' ' ' LEU . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 69' ' ' VAL . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.26 171.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.08 -86.22 1.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 t -152.89 65.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.36 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -79.9 158.78 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.22 14.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 167.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.001 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.03 156.47 21.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -171.85 119.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -62.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.062 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -58.17 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -117.16 113.56 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.15 -171.87 26.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 72.77 -65.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.01 84.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.52 112.51 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 161.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 4.6 t80 -44.27 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -150.89 -59.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 34.0 t 64.89 129.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -120.68 -56.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 15' ' ' GLY . 77.6 p -129.08 -76.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 161.95 -47.49 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.594 ' HE2' ' CZ ' ' A' ' 36' ' ' PHE . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 ' CD2' ' HE1' ' A' ' 79' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.545 HG21 ' CD2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.533 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CZ ' ' HE2' ' A' ' 20' ' ' MET . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.21 130.47 42.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 49' ' ' GLY . 18.6 mm -122.59 140.16 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' HG21 ' A' ' 48' ' ' ILE . . . -58.47 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.574 1.171 . . . . 0.0 111.052 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 p30 172.5 40.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.95 -70.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 mtt85 -68.84 142.53 54.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -92.01 148.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' CB ' ' HB2' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG22 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' HB3' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.414 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 72' ' ' MET . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.51 172.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.99 -115.85 4.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.4 t -151.71 143.74 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -170.63 138.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.79 140.1 14.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t -66.52 160.93 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.54 -141.28 4.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.87 18.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t -111.62 162.26 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -55.86 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -135.48 87.1 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -137.69 136.02 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 131.74 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.28 108.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 125.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.58 110.37 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -165.17 109.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.22 156.07 2.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.934 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.43 -50.48 69.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 61.84 135.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.1 p -144.02 149.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -129.95 -50.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.444 HG21 ' CE ' ' A' ' 42' ' ' MET . 60.2 p -101.39 -59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.42 -42.66 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 2.0 m-70 -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.457 ' HB2' ' N ' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.438 ' CD1' HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.498 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.616 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.616 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.444 ' CE ' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.438 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 120.07 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -106.12 145.17 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.68 -179.15 52.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.05 -48.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.63 -30.16 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -58.61 148.9 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -69.38 175.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.438 ' O ' ' CD1' ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' N ' ' HB2' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 33.6 t60 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.493 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.669 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 81' ' ' HIS . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.477 ' CG1' ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.406 ' CG ' ' OH ' ' A' ' 83' ' ' TYR . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.14 -132.17 3.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 t -132.54 125.42 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -61.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.67 -159.84 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -172.74 164.86 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.42 96.42 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.58 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.41 110.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -82.09 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.709 ' HB3' HD11 ' A' ' 23' ' ' LEU . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.87 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.537 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.75 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 70' ' ' ALA . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 32' ' ' ILE . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.727 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.75 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.686 ' HG3' HD13 ' A' ' 88' ' ' LEU . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD22 ' HG2' ' A' ' 20' ' ' MET . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 72' ' ' MET . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.809 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.681 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.496 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 32' ' ' ILE . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG21 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.69 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.654 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.58 ' HG3' HD13 ' A' ' 88' ' ' LEU . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' HG3' ' A' ' 72' ' ' MET . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.803 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.801 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' MET . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.581 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.651 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.749 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.819 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.678 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.678 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 t-80 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 46' ' ' ILE . 3.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' MET . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.724 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 t-80 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 HD22 ' A' ' 88' ' ' LEU . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.646 HG13 ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 74' ' ' LYS . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 69' ' ' VAL . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.784 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.876 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.876 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.848 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.683 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.728 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.603 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 HD21 ' A' ' 88' ' ' LEU . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.734 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' HD13 ' A' ' 88' ' ' LEU . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.716 ' HB2' HG21 ' A' ' 84' ' ' VAL . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 74' ' ' LYS . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 65' ' ' HIS . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 32' ' ' ILE . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.707 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.782 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.5 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 11.7 t-160 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.944 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.752 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.717 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.944 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 20' ' ' MET . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.859 ' CE2' HG21 ' A' ' 60' ' ' VAL . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.668 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 55' ' ' THR . 31.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 47' ' ' GLU . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 20' ' ' MET . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 88' ' ' LEU . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG2' HD13 ' A' ' 88' ' ' LEU . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 74' ' ' LYS . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' A' ' 72' ' ' MET . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.802 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.958 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.662 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG22 ' CD2' ' A' ' 88' ' ' LEU . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE2' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.3 p-10 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.74 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 74' ' ' LYS . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.827 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.748 ' HB3' HD11 ' A' ' 23' ' ' LEU . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.97 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.01 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 55' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG21 ' HE2' ' A' ' 36' ' ' PHE . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.6 ' CE1' HD11 ' A' ' 88' ' ' LEU . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.74 HG22 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 86' ' ' LEU . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 75' ' ' ASP . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' CD2' HG22 ' A' ' 69' ' ' VAL . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 32' ' ' ILE . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' HG21 ' A' ' 55' ' ' THR . 38.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 47' ' ' GLU . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 36' ' ' PHE . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.553 ' CD2' ' CB ' ' A' ' 90' ' ' SER . 11.2 t-160 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CD2' ' A' ' 88' ' ' LEU . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 75' ' ' ASP . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 69' ' ' VAL . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.553 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HE2' ' A' ' 62' ' ' PHE . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 23' ' ' LEU . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.683 HD12 HD11 ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.809 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.671 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.671 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HD12 ' A' ' 32' ' ' ILE . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 12.1 t-80 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.488 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.79 ' HA ' HD12 ' A' ' 86' ' ' LEU . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 75' ' ' ASP . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG22 ' SD ' ' A' ' 72' ' ' MET . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 1.008 ' HB3' HD11 ' A' ' 23' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.557 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' OD2' ' A' ' 31' ' ' ASP . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' OD2' HG22 ' A' ' 28' ' ' THR . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.677 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 32' ' ' ILE . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 54' ' ' VAL . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.876 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.717 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG3' HD13 ' A' ' 88' ' ' LEU . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.823 HD21 ' HE3' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD13 ' HG3' ' A' ' 72' ' ' MET . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.612 HG23 ' HE3' ' A' ' 20' ' ' MET . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HE3' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 70' ' ' ALA . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 32' ' ' ILE . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.54 HD11 HD12 ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 55' ' ' THR . 2.8 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.523 HG21 ' HG2' ' A' ' 47' ' ' GLU . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.555 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.671 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.833 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.892 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.892 HD23 ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 65' ' ' HIS . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 23' ' ' LEU . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.896 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG23 ' HE1' ' A' ' 20' ' ' MET . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HE1' HD13 ' A' ' 86' ' ' LEU . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.682 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 20' ' ' MET . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HE2' ' A' ' 36' ' ' PHE . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.3 t-80 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.694 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 86' ' ' LEU . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 68' ' ' ALA . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.605 ' SD ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 46' ' ' ILE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.92 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.56 HD11 HD12 ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 20' ' ' MET . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.605 HD21 ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.876 ' CD2' HG22 ' A' ' 69' ' ' VAL . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.714 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.821 HD11 ' CB ' ' A' ' 70' ' ' ALA . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 32' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 55' ' ' THR . 26.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.769 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.7 t-80 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG22 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.821 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 88' ' ' LEU . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.573 HG13 ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.657 ' CD2' HG22 ' A' ' 69' ' ' VAL . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.872 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.936 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.936 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.652 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.652 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.764 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 68' ' ' ALA . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.622 ' HB3' HD11 ' A' ' 23' ' ' LEU . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 ' HG ' HG13 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.565 HD12 HD11 ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.68 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 70' ' ' ALA . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG21 ' HE2' ' A' ' 36' ' ' PHE . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.733 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.916 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.932 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.767 ' HB2' HG21 ' A' ' 84' ' ' VAL . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.767 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' HD13 ' A' ' 86' ' ' LEU . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.932 HD23 ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 65' ' ' HIS . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 87' ' ' PHE . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.774 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 32' ' ' ILE . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.686 ' HE1' HD11 ' A' ' 88' ' ' LEU . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.518 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.561 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 85' ' ' GLU . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD11 ' HE1' ' A' ' 65' ' ' HIS . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 86' ' ' LEU . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.62 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.855 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.615 ' CD2' ' CB ' ' A' ' 90' ' ' SER . 12.2 t-80 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.5 ' OD1' HD22 ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 86' ' ' LEU . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.543 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.672 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.769 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.764 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 85' ' ' GLU . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.726 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.615 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.45 92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -108.44 -57.81 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.71 144.8 6.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 77.38 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -84.86 151.32 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.64 -151.53 7.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -128.28 146.08 50.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 161.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.13 -57.25 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 42.41 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -42.12 116.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' THR . 19.6 p -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 13' ' ' THR . 1.7 p -153.02 -43.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.12 -52.88 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.709 ' HB3' HD11 ' A' ' 23' ' ' LEU . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.87 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.537 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.75 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 70' ' ' ALA . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 32' ' ' ILE . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.29 124.25 28.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.19 138.79 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.88 -87.23 0.18 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -82.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.68 32.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.76 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HB2' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.84 125.28 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 54' ' ' VAL . 3.4 m -68.35 170.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.727 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.75 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.686 ' HG3' HD13 ' A' ' 88' ' ' LEU . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD22 ' HG2' ' A' ' 20' ' ' MET . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 72' ' ' MET . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . 62.36 137.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.63 -133.6 2.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -115.48 151.79 34.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 110.425 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -160.8 166.31 28.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.25 112.47 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -121.76 134.16 54.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.4 -171.71 12.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.31 24.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 p 40.61 86.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 105.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -41.91 136.15 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.63 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -173.89 30.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.67 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -116.32 149.54 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.47 -131.8 3.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -118.71 -57.6 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 148.75 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.4 156.41 24.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 135.36 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 p -81.05 106.72 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 14' ' ' THR . 41.3 p -148.45 177.66 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.505 HG21 ' CE ' ' A' ' 42' ' ' MET . 21.6 p 43.04 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.82 -37.56 0.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.809 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.681 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.505 ' CE ' HG21 ' A' ' 14' ' ' THR . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 32' ' ' ILE . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.25 108.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 52' ' ' GLY . 44.0 mm -104.08 138.26 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.4 -179.7 41.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 71.61 4.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 166.61 -48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 154.93 -32.72 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -57.51 134.03 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 HD13 ' A' ' 48' ' ' ILE . 3.7 m -65.48 148.81 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG21 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.69 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.654 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.58 ' HG3' HD13 ' A' ' 88' ' ' LEU . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' HG3' ' A' ' 72' ' ' MET . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.43 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 171.15 -92.16 0.1 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.2 t -166.98 132.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.739 . . . . 0.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 156.78 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.87 -123.24 0.85 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 62.99 128.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.2 153.64 25.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.52 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.4 m -144.86 109.05 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.6 p -50.56 139.74 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -148.5 143.8 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -110.84 150.2 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 179.05 21.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -159.94 111.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.18 155.31 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 121.33 0.61 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.82 164.45 37.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.04 139.3 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 25.5 t80 54.11 101.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.06 97.14 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 33.3 t -88.17 138.75 31.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -141.61 -57.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -129.04 -71.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.74 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.803 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.801 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.58 116.74 10.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' GLY . 41.7 mm -106.03 146.99 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -177.14 51.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 171.78 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 159.49 -27.96 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 153.9 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -80.52 151.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' MET . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.581 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.651 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.749 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.819 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.82 179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.45 -70.46 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.4 p -84.95 177.41 7.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 86.2 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.93 82.64 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.7 p -114.6 172.92 6.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.65 95.69 0.56 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.71 30.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.3 t -177.85 150.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.52 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -133.32 129.31 37.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.0 -173.33 18.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.48 -58.36 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t 43.29 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.11 156.43 26.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 96.61 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.06 154.24 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 12' ' ' SER . 53.7 t80 -81.22 142.42 33.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -147.87 71.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . 24.6 p -60.38 112.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -96.51 -69.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -107.81 -52.5 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.17 -47.32 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.678 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.678 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 1.3 t-80 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.86 115.44 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 52' ' ' GLY . 29.8 mm -98.26 140.85 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -176.72 51.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -177.93 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 48' ' ' ILE . . . 156.97 -35.64 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 2.8 mmt180 -66.69 155.76 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 46' ' ' ILE . 3.5 m -58.06 176.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' MET . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.724 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.2 t-80 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 HD22 ' A' ' 88' ' ' LEU . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.646 HG13 ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 74' ' ' LYS . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 69' ' ' VAL . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.89 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.43 -139.99 3.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -78.17 157.32 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.3 165.04 34.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.25 148.36 5.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.29 164.35 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.99 -84.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.56 13.42 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.8 p -70.72 159.2 34.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.58 168.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -98.63 158.47 15.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -168.74 129.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.13 133.51 1.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -62.08 111.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -89.0 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 91.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -175.56 -58.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.12 98.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -130.0 148.98 51.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -141.27 124.54 16.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -93.41 105.03 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.0 p -146.39 -57.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -116.57 -48.06 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -45.83 1.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.784 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.876 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.876 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.848 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.683 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.66 118.17 23.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -98.84 132.31 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.72 -89.37 0.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.01 51.16 2.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.6 m-20 37.58 41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.92 -54.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -88.1 162.3 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.36 157.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.728 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.603 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 HD21 ' A' ' 88' ' ' LEU . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.734 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' HD13 ' A' ' 88' ' ' LEU . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.716 ' HB2' HG21 ' A' ' 84' ' ' VAL . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 74' ' ' LYS . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 65' ' ' HIS . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.3 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.19 119.12 0.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.5 p -134.96 165.55 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 p -171.3 129.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.99 -111.36 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 t 67.23 152.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 179.66 39.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.82 9.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.3 m -65.96 -60.81 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 89.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.62 -58.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -98.0 98.8 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.18 -116.4 0.36 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -86.74 -59.95 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.54 82.09 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 133.92 3.93 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.441 1.088 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -175.03 101.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 71.08 131.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.76 139.85 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -146.78 113.74 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -67.11 128.56 36.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -88.92 -57.56 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -130.31 -52.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.35 -52.97 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 32' ' ' ILE . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.07 121.39 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' GLY . 46.3 mm -102.85 149.49 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.68 -176.68 46.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.421 1.075 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.72 6.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 170.41 -51.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 158.0 -35.07 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -55.73 133.96 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 54' ' ' VAL . 2.7 m -59.28 170.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.707 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.782 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.5 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 11.7 t-160 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.944 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.752 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.5 ' OG ' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.04 161.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.71 -108.35 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.2 t -114.3 159.28 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 t -120.71 148.91 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.26 165.08 14.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.75 140.04 24.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.66 75.24 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.59 43.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 159.33 19.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.48 122.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -107.35 90.72 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 147.56 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 147.45 6.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -103.28 150.05 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -167.37 149.92 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.4 -105.65 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -103.24 157.1 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.7 p 50.28 97.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 34.4 t80 -50.69 161.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.16 114.92 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 13' ' ' THR . 68.2 p -61.26 -66.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 14' ' ' THR . 30.5 p 49.93 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 13' ' ' THR . 65.0 p 40.41 95.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.76 -34.51 1.88 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 14' ' ' THR . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.717 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.944 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 20' ' ' MET . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.859 ' CE2' HG21 ' A' ' 60' ' ' VAL . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.668 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 55' ' ' THR . 31.1 tt0 -65.04 123.76 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' GLY . 45.6 mm -99.96 145.4 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.78 -89.03 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -74.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -161.56 33.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 48' ' ' ILE . . . 179.68 -65.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -47.2 160.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.15 164.62 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 47' ' ' GLU . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 20' ' ' MET . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 88' ' ' LEU . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG2' HD13 ' A' ' 88' ' ' LEU . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 74' ' ' LYS . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' A' ' 72' ' ' MET . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.43 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.43 172.48 14.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.67 131.83 43.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 m -134.58 134.44 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.75 66.65 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.4 p -136.93 104.11 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.88 169.12 22.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 m 56.41 89.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.15 119.23 33.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.39 158.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -115.83 138.23 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.99 -156.58 32.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -153.35 -57.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -150.81 144.19 24.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 164.99 20.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.84 161.34 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -136.86 -47.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.82 -52.54 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.5 mt-30 71.87 -63.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER 85.18 -48.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 14' ' ' THR . 69.7 p -83.41 175.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 61' ' ' GLU . 33.1 p 39.74 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.6 65.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.802 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.958 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.27 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 53' ' ' ARG . 6.8 mm -101.49 142.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -69.38 -97.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.01 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 7.5 t70 37.45 38.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' GLY . 8.3 mtm180 -101.52 149.61 23.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 54' ' ' VAL . 3.9 m -68.57 154.37 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' OG1' ' A' ' 14' ' ' THR . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.662 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG22 ' CD2' ' A' ' 88' ' ' LEU . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE2' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.3 p-10 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.74 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 74' ' ' LYS . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.827 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.96 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.21 67.26 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -119.17 143.92 46.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.7 p -164.48 142.6 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.81 162.72 11.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -140.26 160.24 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.956 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 157.65 18.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.69 6.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.9 p 46.18 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -76.33 92.86 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.92 159.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.28 127.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 93.69 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 m 50.31 93.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.054 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -114.72 117.19 30.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.95 153.93 3.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 t -75.35 151.13 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -171.1 161.76 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 1.4 t80 57.1 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.4 tt0 -171.04 43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.3 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.5 p -123.0 -62.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.7 p -122.41 -61.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.46 -47.29 0.88 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.748 ' HB3' HD11 ' A' ' 23' ' ' LEU . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.97 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.01 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 55' ' ' THR . 0.8 OUTLIER -80.52 129.2 34.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.945 HG23 ' O ' ' A' ' 53' ' ' ARG . 9.1 mm -129.16 141.74 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.89 -94.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -177.73 38.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.83 -77.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.945 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -57.52 154.16 11.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -109.13 146.57 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG21 ' HE2' ' A' ' 36' ' ' PHE . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.6 ' CE1' HD11 ' A' ' 88' ' ' LEU . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.74 HG22 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 86' ' ' LEU . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 75' ' ' ASP . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' CD2' HG22 ' A' ' 69' ' ' VAL . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.24 171.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.42 156.67 23.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.6 p -95.25 124.09 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -102.06 157.13 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.96 141.35 15.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 t -145.34 152.07 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.07 135.37 24.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.06 68.39 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 m -142.9 157.7 44.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -137.17 91.02 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 161.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 71.74 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -94.3 153.35 18.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.727 . . . . 0.0 110.061 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -118.25 -50.41 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 68.69 -71.02 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m 60.89 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' GLY . 78.5 p -104.0 161.49 13.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.54 146.28 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.43 157.64 45.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.2 p -112.43 106.76 15.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' THR . 77.4 p -123.87 -41.61 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 13' ' ' THR . 13.3 p -153.14 98.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.93 -38.63 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 32' ' ' ILE . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' HG21 ' A' ' 55' ' ' THR . 38.5 tt0 -66.1 124.51 22.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 52' ' ' GLY . 49.7 mm -108.59 139.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.64 -90.19 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -173.51 35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 48' ' ' ILE . . . -176.75 -65.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.99 152.62 5.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.17 156.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 47' ' ' GLU . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 36' ' ' PHE . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.553 ' CD2' ' CB ' ' A' ' 90' ' ' SER . 11.2 t-160 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CD2' ' A' ' 88' ' ' LEU . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 75' ' ' ASP . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 69' ' ' VAL . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.553 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.27 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.36 85.88 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.0 t -167.03 123.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 -171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.3 -155.85 6.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.85 136.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.55 157.6 15.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.15 23.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -88.66 156.34 19.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 0.0 109.987 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -115.78 153.53 31.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.05 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -112.49 141.34 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.66 155.76 27.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.02 36.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.6 161.99 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -74.54 128.19 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.04 -169.68 28.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -153.74 95.84 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.27 134.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -63.65 125.43 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mm-40 -138.03 91.21 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 p -43.55 147.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLN . 61.6 p -140.77 -57.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 13' ' ' THR . 11.3 p -154.54 99.29 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.445 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.14 -37.37 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HE2' ' A' ' 62' ' ' PHE . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 23' ' ' LEU . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.683 HD12 HD11 ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.809 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.671 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.671 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HD12 ' A' ' 32' ' ' ILE . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.83 129.83 44.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 mm -103.96 130.6 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.11 -88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -74.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.65 35.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 48' ' ' ILE . . . -174.71 -39.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.5 mtt180 -97.77 146.89 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 54' ' ' VAL . 4.7 m -74.6 157.2 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' ' OG ' ' A' ' 90' ' ' SER . 12.1 t-80 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.488 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.79 ' HA ' HD12 ' A' ' 86' ' ' LEU . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 75' ' ' ASP . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.56 ' OG ' ' CD2' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.1 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.61 -128.99 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -110.42 148.34 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -174.5 123.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.76 6.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t 71.78 110.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -174.25 23.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.803 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.97 -59.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.4 142.28 39.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -145.38 -58.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.73 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.29 121.06 3.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -104.75 0.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -39.57 121.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 111.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -131.24 1.34 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -144.77 -47.3 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.7 t -151.64 -69.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 78.9 t80 -122.35 170.56 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER 175.36 107.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -64.0 154.87 32.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -138.1 -61.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -114.33 -66.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.71 -46.48 1.07 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG22 ' SD ' ' A' ' 72' ' ' MET . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 1.008 ' HB3' HD11 ' A' ' 23' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.557 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' OD2' ' A' ' 31' ' ' ASP . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' OD2' HG22 ' A' ' 28' ' ' THR . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 32' ' ' ILE . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -91.12 117.81 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.9 mm -101.97 127.03 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' CA ' HG22 ' A' ' 55' ' ' THR . . . -67.02 -97.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 48.19 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 17.5 m-20 38.76 43.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.61 -53.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -113.74 140.6 48.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -56.75 176.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 HG22 ' CA ' ' A' ' 49' ' ' GLY . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.876 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.717 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG3' HD13 ' A' ' 88' ' ' LEU . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.823 HD21 ' HE3' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.525 HD13 ' HG3' ' A' ' 72' ' ' MET . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.86 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 157.45 -68.69 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -166.07 142.05 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.777 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 t -171.44 163.96 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.47 132.64 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 t -154.14 148.43 25.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.63 174.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.75 5.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 160.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -179.86 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 45.28 81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.78 -59.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.35 149.13 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m -153.8 172.59 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.62 134.76 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 86.74 1.01 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.84 160.02 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 t -174.43 165.03 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 11.6 t80 -64.91 134.49 54.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.37 55.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.6 p 46.57 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.2 p -101.25 -157.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -45.56 -43.94 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.78 -49.46 0.93 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.612 HG23 ' HE3' ' A' ' 20' ' ' MET . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HE3' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 70' ' ' ALA . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 32' ' ' ILE . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.54 HD11 HD12 ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 55' ' ' THR . 2.8 tt0 -65.88 122.08 16.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 54' ' ' VAL . 25.0 mm -109.11 133.91 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -76.07 -91.99 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 51.68 2.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' PRO . 57.6 m-20 38.44 33.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' PRO . . . -157.76 -54.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 48' ' ' ILE . 5.3 mtt180 -91.27 151.15 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG12 HD13 ' A' ' 48' ' ' ILE . 3.4 m -79.93 156.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.523 HG21 ' HG2' ' A' ' 47' ' ' GLU . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.555 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.671 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.833 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.892 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.892 HD23 ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 65' ' ' HIS . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.91 -170.58 28.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 94' ' ' THR . 6.1 t -129.46 66.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.71 -174.42 17.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -155.46 -56.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 147.47 22.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.41 24.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.64 -65.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.17 137.78 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -172.34 73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -71.26 139.2 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.84 154.55 16.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.41 82.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -133.43 143.15 48.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 112.8 2.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p 49.04 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -123.82 115.59 21.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -166.69 147.42 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.84 -66.77 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 45.1 p 176.88 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.34 -71.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.858 HG21 ' CE ' ' A' ' 42' ' ' MET . 3.7 p -112.35 -50.68 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.88 -57.39 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 23' ' ' LEU . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.896 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG23 ' HE1' ' A' ' 20' ' ' MET . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HE1' HD13 ' A' ' 86' ' ' LEU . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.682 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.858 ' CE ' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.47 123.97 23.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' ARG . 42.6 mm -99.71 139.09 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.16 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -167.68 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.51 -55.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtt-85 -63.01 165.52 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.44 167.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 20' ' ' MET . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HE2' ' A' ' 36' ' ' PHE . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.3 t-80 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.694 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 86' ' ' LEU . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 68' ' ' ALA . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 52.76 175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.95 155.73 9.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -159.55 165.62 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.7 p -117.76 115.16 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.05 107.16 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.8 p -154.51 108.59 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.43 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.3 p -136.74 -58.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.953 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.46 106.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -123.03 -58.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 p -121.43 114.47 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.2 152.7 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.04 85.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -50.48 159.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.6 102.56 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -154.28 98.89 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -70.91 114.98 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -81.44 156.23 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.07 144.78 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -95.62 103.94 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 p -114.74 160.74 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p 52.62 102.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.75 -27.43 1.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.605 ' SD ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 46' ' ' ILE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.92 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.56 HD11 HD12 ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.28 123.68 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 52' ' ' GLY . 42.7 mm -110.69 152.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.23 -177.04 48.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.77 4.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -177.64 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 164.89 -35.4 0.27 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -53.22 147.83 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.84 158.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 20' ' ' MET . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.605 HD21 ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.876 ' CD2' HG22 ' A' ' 69' ' ' VAL . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 51.86 177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 94' ' ' THR . . . -119.01 106.43 1.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 93' ' ' GLY . 9.0 t 46.83 -162.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 0.737 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.44 ' N ' ' OG1' ' A' ' 94' ' ' THR . 0.5 OUTLIER 164.79 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.69 122.68 1.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t -156.25 156.61 34.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.55 91.67 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.31 7.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -59.25 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -134.94 126.6 28.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -50.53 121.73 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 86.86 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.95 -100.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -157.44 152.79 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 75.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.38 85.58 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -102.8 151.01 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -152.05 158.98 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.51 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -58.92 149.59 26.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.5 p -134.96 -46.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -127.57 -71.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.42 -39.01 0.55 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.714 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.821 HD11 ' CB ' ' A' ' 70' ' ' ALA . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 HG22 HD11 ' A' ' 48' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 48' ' ' ILE . 26.8 tt0 -95.61 135.67 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 47' ' ' GLU . 4.5 mm -135.62 125.55 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -86.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.02 3.32 5.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 81.44 27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' N ' ' CG2' ' A' ' 48' ' ' ILE . . . -140.63 -44.51 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 141.95 43.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -72.29 153.27 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.769 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 11.7 t-80 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG22 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.821 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 88' ' ' LEU . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.573 HG13 ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.657 ' CD2' HG22 ' A' ' 69' ' ' VAL . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.603 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.7 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.83 -69.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 94' ' ' THR . 1.7 t -115.55 112.2 21.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -85.81 -60.01 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.6 -178.83 41.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.5 p -154.83 156.96 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.88 -170.52 20.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 m 60.34 106.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -75.01 125.43 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.63 137.37 53.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -69.48 124.12 23.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.71 -166.1 3.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -146.66 167.22 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.74 97.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.12 64.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -99.3 112.19 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -121.11 109.88 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.0 138.93 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -141.14 110.12 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -45.62 144.87 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.757 ' C ' HG23 ' A' ' 14' ' ' THR . 35.0 p -125.83 163.95 21.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.757 HG23 ' C ' ' A' ' 13' ' ' THR . 1.0 OUTLIER 68.13 -57.82 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 138.14 -51.92 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.872 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.936 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.936 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.652 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.652 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.56 120.37 17.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 52' ' ' GLY . 47.3 mm -102.37 130.86 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.35 -90.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -70.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -169.44 36.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 48' ' ' ILE . . . -178.11 -59.91 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -59.95 156.29 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.59 170.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.764 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 68' ' ' ALA . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.71 -175.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.81 56.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 p -84.86 112.81 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -167.87 153.33 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.07 -136.63 12.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.2 m 72.6 -61.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.78 102.72 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 72.62 4.62 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 139.18 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -100.88 -65.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -147.9 126.66 12.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.55 -115.59 0.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -139.23 103.59 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.29 135.03 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.79 -136.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -161.49 -59.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.09 168.26 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 20.4 t80 -63.97 159.13 20.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.1 mt-30 -137.27 136.37 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 13' ' ' THR . 7.7 t -127.65 178.9 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.57 HG22 HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER 168.48 -31.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 HG22 ' A' ' 13' ' ' THR . 2.5 p -112.54 -45.8 3.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.04 -46.75 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.622 ' HB3' HD11 ' A' ' 23' ' ' LEU . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 ' HG ' HG13 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.565 HD12 HD11 ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.68 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 70' ' ' ALA . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 -62.02 126.29 26.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 34.0 mm -103.2 138.07 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.57 -89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.06 -86.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.44 37.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.73 -50.51 0.15 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' ILE . 34.0 mtm180 -65.18 152.42 43.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -90.3 166.14 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG21 ' HE2' ' A' ' 36' ' ' PHE . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.733 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.916 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.932 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.767 ' HB2' HG21 ' A' ' 84' ' ' VAL . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.767 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' HD13 ' A' ' 86' ' ' LEU . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.932 HD23 ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 65' ' ' HIS . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.26 171.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.08 -86.22 1.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' THR . 3.7 t -152.89 65.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -79.9 158.78 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.22 14.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 167.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.001 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.03 156.47 21.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -171.85 119.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -62.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.062 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -58.17 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -117.16 113.56 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.15 -171.87 26.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 72.77 -65.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.01 84.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.52 112.51 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 161.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 4.6 t80 -44.27 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -150.89 -59.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 34.0 t 64.89 129.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -120.68 -56.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 15' ' ' GLY . 77.6 p -129.08 -76.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 161.95 -47.49 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 87' ' ' PHE . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.774 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 32' ' ' ILE . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.21 130.47 42.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ARG . 18.6 mm -122.59 140.16 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.47 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.574 1.171 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 p30 172.5 40.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.95 -70.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.1 mtt85 -68.84 142.53 54.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.614 ' HA ' HD13 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -92.01 148.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.686 ' HE1' HD11 ' A' ' 88' ' ' LEU . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.518 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.561 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 85' ' ' GLU . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD11 ' HE1' ' A' ' 65' ' ' HIS . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.51 172.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.99 -115.85 4.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.4 t -151.71 143.74 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -170.63 138.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.79 140.1 14.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t -66.52 160.93 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.54 -141.28 4.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.87 18.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t -111.62 162.26 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -55.86 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -135.48 87.1 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -137.69 136.02 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 131.74 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.28 108.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 125.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.58 110.37 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -165.17 109.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.22 156.07 2.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.934 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.43 -50.48 69.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 61.84 135.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.1 p -144.02 149.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -129.95 -50.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -101.39 -59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.42 -42.66 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 86' ' ' LEU . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.62 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 120.07 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' GLY . 46.0 mm -106.12 145.17 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.68 -179.15 52.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.05 -48.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 149.63 -30.16 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -58.61 148.9 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -69.38 175.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.855 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.615 ' CD2' ' CB ' ' A' ' 90' ' ' SER . 12.2 t-80 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.5 ' OD1' HD22 ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 86' ' ' LEU . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.543 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.672 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.769 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.764 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 85' ' ' GLU . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.726 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.615 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.14 -132.17 3.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 t -132.54 125.42 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -61.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.67 -159.84 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -172.74 164.86 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.42 96.42 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.58 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.41 110.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -82.09 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.709 ' HB3' HD11 ' A' ' 23' ' ' LEU . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.87 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.537 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.75 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 70' ' ' ALA . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 32' ' ' ILE . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.727 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.75 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.686 ' HG3' HD13 ' A' ' 88' ' ' LEU . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD22 ' HG2' ' A' ' 20' ' ' MET . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 72' ' ' MET . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.809 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.681 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.496 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 32' ' ' ILE . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG21 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.69 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.654 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.58 ' HG3' HD13 ' A' ' 88' ' ' LEU . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' HG3' ' A' ' 72' ' ' MET . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.803 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.801 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' MET . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.581 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.651 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.749 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.819 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.678 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.678 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 4.7 t60 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 46' ' ' ILE . 3.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' MET . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.724 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 23.6 t60 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 HD22 ' A' ' 88' ' ' LEU . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.646 HG13 ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 74' ' ' LYS . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.405 HD11 ' HE1' ' A' ' 65' ' ' HIS . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.784 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.876 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.876 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.848 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.683 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.728 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.603 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 HD21 ' A' ' 88' ' ' LEU . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.734 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' HD13 ' A' ' 88' ' ' LEU . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.716 ' HB2' HG21 ' A' ' 84' ' ' VAL . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.607 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 74' ' ' LYS . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 65' ' ' HIS . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 32' ' ' ILE . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.707 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.782 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.709 ' HE1' HD11 ' A' ' 88' ' ' LEU . 29.0 t60 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 65' ' ' HIS . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.944 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.752 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 1.1 m-70 -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.717 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.944 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 20' ' ' MET . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.859 ' CE2' HG21 ' A' ' 60' ' ' VAL . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.668 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 55' ' ' THR . 31.1 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 47' ' ' GLU . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 20' ' ' MET . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 88' ' ' LEU . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG2' HD13 ' A' ' 88' ' ' LEU . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 74' ' ' LYS . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' A' ' 72' ' ' MET . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.802 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.958 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.662 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG22 ' CD2' ' A' ' 88' ' ' LEU . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE2' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 4.2 p30 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.74 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 74' ' ' LYS . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.827 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.748 ' HB3' HD11 ' A' ' 23' ' ' LEU . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.97 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.01 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 55' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG21 ' HE2' ' A' ' 36' ' ' PHE . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.6 ' CE1' HD11 ' A' ' 88' ' ' LEU . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.74 HG22 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 86' ' ' LEU . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 75' ' ' ASP . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.74 ' CD2' HG22 ' A' ' 69' ' ' VAL . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.753 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 32' ' ' ILE . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' HG21 ' A' ' 55' ' ' THR . 38.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 47' ' ' GLU . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 36' ' ' PHE . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 27.8 t60 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CD2' ' A' ' 88' ' ' LEU . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 75' ' ' ASP . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 69' ' ' VAL . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.542 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HE2' ' A' ' 62' ' ' PHE . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 23' ' ' LEU . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.683 HD12 HD11 ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.809 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.671 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.671 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HD12 ' A' ' 32' ' ' ILE . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.612 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 31.4 t60 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.79 ' HA ' HD12 ' A' ' 86' ' ' LEU . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 75' ' ' ASP . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.403 HG22 ' SD ' ' A' ' 72' ' ' MET . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 1.008 ' HB3' HD11 ' A' ' 23' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.008 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.557 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' OD2' ' A' ' 31' ' ' ASP . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.453 ' OD2' HG22 ' A' ' 28' ' ' THR . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.677 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 32' ' ' ILE . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.422 ' H ' HG22 ' A' ' 54' ' ' VAL . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.876 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.717 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG3' HD13 ' A' ' 88' ' ' LEU . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.823 HD21 ' HE3' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD13 ' HG3' ' A' ' 72' ' ' MET . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.612 HG23 ' HE3' ' A' ' 20' ' ' MET . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HE3' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 70' ' ' ALA . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 32' ' ' ILE . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.54 HD11 HD12 ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 55' ' ' THR . 2.8 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.523 HG21 ' HG2' ' A' ' 47' ' ' GLU . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.555 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.671 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.833 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.892 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.892 HD23 ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 65' ' ' HIS . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 23' ' ' LEU . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.896 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG23 ' HE1' ' A' ' 20' ' ' MET . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HE1' HD13 ' A' ' 86' ' ' LEU . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.682 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 20' ' ' MET . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HE2' ' A' ' 36' ' ' PHE . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.675 ' HE1' HD11 ' A' ' 88' ' ' LEU . 37.3 t60 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 65' ' ' HIS . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.694 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 86' ' ' LEU . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 68' ' ' ALA . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.605 ' SD ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 46' ' ' ILE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.92 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.56 HD11 HD12 ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 20' ' ' MET . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.605 HD21 ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.876 ' CD2' HG22 ' A' ' 69' ' ' VAL . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.714 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.821 HD11 ' CB ' ' A' ' 70' ' ' ALA . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.402 HD11 HD12 ' A' ' 32' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' HG21 ' A' ' 55' ' ' THR . 26.8 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.422 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.769 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 37.1 t60 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG22 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.821 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 88' ' ' LEU . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.573 HG13 ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 65' ' ' HIS . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.872 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.936 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.936 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.652 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.652 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.764 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 68' ' ' ALA . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.622 ' HB3' HD11 ' A' ' 23' ' ' LEU . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 ' HG ' HG13 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.565 HD12 HD11 ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.68 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 70' ' ' ALA . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG21 ' HE2' ' A' ' 36' ' ' PHE . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.733 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.916 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.932 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.767 ' HB2' HG21 ' A' ' 84' ' ' VAL . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.767 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' HD13 ' A' ' 86' ' ' LEU . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.932 HD23 ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 65' ' ' HIS . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 87' ' ' PHE . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.774 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 32' ' ' ILE . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.686 ' HE1' HD11 ' A' ' 88' ' ' LEU . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.518 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.561 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 85' ' ' GLU . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 HD11 ' HE1' ' A' ' 65' ' ' HIS . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 2.0 m-70 -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 86' ' ' LEU . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.62 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.855 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.694 ' CE1' HD11 ' A' ' 88' ' ' LEU . 33.6 t60 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.5 ' OD1' HD22 ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 86' ' ' LEU . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.543 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.672 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.769 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.764 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 85' ' ' GLU . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.726 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.45 92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 m -108.44 -57.81 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.71 144.8 6.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 77.38 -68.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.2 p -84.86 151.32 24.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.64 -151.53 7.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 p -128.28 146.08 50.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.31 161.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -63.13 -57.25 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 42.41 88.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.2 t -42.12 116.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' THR . 19.6 p -62.57 -41.44 98.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 13' ' ' THR . 1.7 p -153.02 -43.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.12 -52.88 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.123 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 3.8 m-70 -76.02 111.93 11.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.605 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -141.44 167.41 22.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 108.295 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.31 123.69 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 2.8 t60 -88.78 144.89 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.709 ' HB3' HD11 ' A' ' 23' ' ' LEU . 19.2 mtp -122.33 140.47 52.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 111.064 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 85' ' ' GLU . 45.6 mtp180 -150.26 153.44 36.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.97 54.81 33.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.102 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -93.71 156.46 39.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.87 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.96 154.54 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -65.52 -34.3 77.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -95.22 40.71 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.87 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -112.23 123.39 50.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -123.43 157.46 33.4 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 32' ' ' ILE . 4.0 mt-10 -41.2 -54.47 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -41.46 -40.62 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 28' ' ' THR . 57.7 m-20 -74.48 -47.44 33.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.537 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.2 mt -57.68 -18.5 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.0 m-85 -84.11 -39.94 18.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -85.01 -16.64 40.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 30.3 t80 -76.8 -11.7 59.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.75 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 7.6 m-85 -118.87 -7.95 10.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.86 158.08 84.54 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 116.79 4.26 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.0 0.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 70' ' ' ALA . 8.1 mt -166.01 173.57 10.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.93 10.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.04 120.94 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.534 1.808 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -40.19 -41.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 111.008 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.36 144.89 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 32' ' ' ILE . 67.6 t -116.83 109.57 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -84.69 133.88 34.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.62 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.4 mm -111.37 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -80.29 124.25 28.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.19 138.79 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.88 -87.23 0.18 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.1 Cg_endo -75.01 -82.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.439 1.758 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.68 32.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 -48.76 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HB2' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.84 125.28 24.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' H ' HG22 ' A' ' 54' ' ' VAL . 3.4 m -68.35 170.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.6 p -110.77 -25.42 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.62 7.62 33.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 9.8 mt-10 -113.52 155.13 25.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.658 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.82 162.52 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.84 122.67 26.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.737 HG21 ' CE2' ' A' ' 36' ' ' PHE . 12.8 t -109.38 130.55 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.44 142.67 45.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 66.6 m-85 -131.87 151.06 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.08 -50.13 65.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.1 p -110.9 -178.77 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.642 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 31.0 t60 -81.65 -44.35 17.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.27 -53.07 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -48.66 -30.2 5.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -70.92 -67.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.2 t -47.0 -41.01 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.727 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -59.92 -43.46 94.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.75 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.686 ' HG3' HD13 ' A' ' 88' ' ' LEU . 61.6 mmm -65.23 -14.65 61.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.44 -20.96 65.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 37.49 1.89 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 8.5 p30 -84.37 122.57 29.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.6 mttt 88.45 -42.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.15 126.97 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 5.3 t30 -67.13 119.19 11.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.443 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 6.9 ttm -68.17 -49.73 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.35 -75.33 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.497 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 50.9 p-80 -141.84 14.62 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.7 mmt180 -133.72 164.63 26.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -105.14 104.75 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.1 m -89.75 138.31 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -91.46 128.38 37.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD22 ' HG2' ' A' ' 20' ' ' MET . 40.5 mt -116.15 124.33 50.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -112.54 111.98 23.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 72' ' ' MET . 29.9 tp -64.54 115.09 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -128.37 106.71 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.22 168.15 20.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 92' ' ' ALA . 1.2 m -104.88 -39.09 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.435 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' THR . . . 62.36 137.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.63 -133.6 2.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -115.48 151.79 34.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 0.794 . . . . 0.0 110.425 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 t -160.8 166.31 28.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.25 112.47 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.6 m -121.76 134.16 54.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.4 -171.71 12.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.31 24.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 p 40.61 86.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.7 105.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -41.91 136.15 2.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.63 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.0 -173.89 30.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.67 101.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 0.748 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -116.32 149.54 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.47 -131.8 3.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.6 t -118.71 -57.6 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.03 148.75 48.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 1.0 OUTLIER -82.4 156.41 24.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 135.36 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 p -81.05 106.72 13.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 14' ' ' THR . 41.3 p -148.45 177.66 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.505 HG21 ' CE ' ' A' ' 42' ' ' MET . 21.6 p 43.04 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.82 -37.56 0.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' ND1' ' HB2' ' A' ' 65' ' ' HIS . 2.5 m-70 -73.25 108.3 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.608 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.41 154.47 43.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -132.02 119.89 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 7.1 t60 -85.74 156.89 20.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.809 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtp -131.26 137.33 48.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -148.06 146.56 28.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.92 53.01 11.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.589 1.18 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.53 157.77 35.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.676 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -75.0 157.52 42.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -69.25 -9.18 51.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -117.51 35.02 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.676 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -108.05 114.2 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 t -117.11 163.68 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.471 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 7.4 mt-10 -48.17 -43.83 31.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.72 -39.62 65.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.15 -48.03 25.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 HD11 ' A' ' 46' ' ' ILE . 57.9 mt -54.9 -27.9 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.567 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.8 m-85 -72.27 -39.44 68.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -86.04 -13.76 46.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.529 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.6 t80 -80.59 -16.78 53.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 11.5 m-85 -112.04 -10.59 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.681 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.75 157.07 85.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.96 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 117.35 4.61 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.027 -2.489 . . . . 0.0 111.012 0.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.2 mt -166.94 174.44 8.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.74 94.44 10.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.97 124.47 8.66 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.505 ' CE ' HG21 ' A' ' 14' ' ' THR . 1.5 mmm -50.21 -41.45 49.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 42' ' ' MET . 55.4 mtt180 -165.66 138.13 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.9 t -116.85 106.95 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -81.5 134.66 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.534 HD11 HD12 ' A' ' 32' ' ' ILE . 10.7 mm -108.42 104.41 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -64.25 108.81 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 52' ' ' GLY . 44.0 mm -104.08 138.26 29.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.4 -179.7 41.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 71.61 4.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 166.61 -48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.609 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 154.93 -32.72 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.4 mtt85 -57.51 134.03 55.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.451 HG12 HD13 ' A' ' 48' ' ' ILE . 3.7 m -65.48 148.81 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.0 p -91.21 -23.08 20.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.15 5.16 32.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.9 mt-10 -109.95 156.2 20.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.349 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.1 151.6 25.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -117.41 129.3 55.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG21 ' CE2' ' A' ' 36' ' ' PHE . 2.4 t -115.39 131.49 67.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -118.92 135.18 54.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 55.2 m-85 -125.78 150.58 47.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.36 66.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.5 p -112.98 -173.43 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.69 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.8 t60 -86.13 -41.57 14.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.574 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -47.51 -52.72 16.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.654 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -56.67 -22.59 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -76.84 -63.46 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -52.18 -44.42 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.37 -37.99 68.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -78.47 -23.6 46.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.58 ' HG3' HD13 ' A' ' 88' ' ' LEU . 52.8 mmm -75.3 -0.0 18.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.24 -14.68 59.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.75 30.56 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 6.2 p-10 -77.36 120.26 22.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 5.4 mmpt? 88.37 -36.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -39.22 132.67 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 82' ' ' ARG . 18.5 t-20 -76.4 101.93 5.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.529 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.9 ttm -52.85 -69.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -103.95 -76.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -142.72 16.26 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mmt85 -134.62 156.7 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -95.65 101.74 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.45 140.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.74 150.89 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' CD2' ' HG2' ' A' ' 20' ' ' MET . 29.2 mt -132.67 135.65 45.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -121.52 111.57 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' HG3' ' A' ' 72' ' ' MET . 11.9 tp -69.6 113.48 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -126.28 105.93 9.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.467 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.96 169.1 18.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.1 m -110.95 -34.54 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.43 -83.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 171.15 -92.16 0.1 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.2 t -166.98 132.41 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.739 . . . . 0.0 110.363 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.14 156.78 43.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.87 -123.24 0.85 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.523 1.139 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 62.99 128.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -147.2 153.64 25.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 177.52 8.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.4 m -144.86 109.05 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.153 . . . . 0.0 109.965 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.6 p -50.56 139.74 15.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -148.5 143.8 26.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -110.84 150.2 29.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 179.05 21.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -159.94 111.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.18 155.31 3.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.12 121.33 0.61 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.82 164.45 37.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.04 139.3 42.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 25.5 t80 54.11 101.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.06 97.14 9.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 33.3 t -88.17 138.75 31.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.4 p -141.61 -57.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -129.04 -71.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 147.77 -49.74 0.6 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.475 ' HA ' ' CB ' ' A' ' 90' ' ' SER . 0.7 OUTLIER -80.23 120.09 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.532 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.8 m -143.23 164.78 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 108.265 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.2 t -136.71 117.95 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -85.35 154.21 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.658 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.803 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.1 mtp -131.48 141.53 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -148.91 153.37 37.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.13 55.09 31.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -94.57 155.55 39.41 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.504 0.767 . . . . 0.0 109.262 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.801 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 164.91 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -68.39 -45.6 72.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -86.61 44.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.801 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -118.2 110.46 17.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 4.5 t -120.32 165.72 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 12.1 mt-10 -42.86 -46.33 5.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.08 -40.51 23.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' PHE . 72.4 m-20 -77.1 -52.17 9.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 46' ' ' ILE . 36.5 mt -49.89 -32.55 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.9 m-85 -67.92 -46.07 72.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -79.77 -15.64 57.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.1 t80 -79.36 -12.71 59.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 60' ' ' VAL . 14.1 m-85 -115.89 -14.44 11.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.665 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.36 155.71 87.43 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.48 5.33 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.976 -0.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.665 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.5 mt -166.82 175.39 7.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.52 93.37 11.17 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.43 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.98 127.43 10.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 61' ' ' GLU . 4.5 mmm -52.41 -37.0 55.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.438 1.086 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.14 141.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 68.8 t -116.51 109.25 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -86.99 135.43 33.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.575 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 32' ' ' ILE . 2.2 mm -112.75 103.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.58 116.74 10.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG23 ' O ' ' A' ' 52' ' ' GLY . 41.7 mm -106.03 146.99 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -177.14 51.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 71.81 4.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 171.78 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 159.49 -27.96 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 153.9 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 m -80.52 151.29 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.3 p -91.8 -25.31 19.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.76 7.67 35.96 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 20' ' ' MET . 17.0 mt-10 -112.85 155.72 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.33 136.8 9.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -109.8 115.84 30.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.671 HG21 ' CE2' ' A' ' 36' ' ' PHE . 3.2 t -100.82 157.31 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.0 tm-20 -137.54 136.47 37.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 1.083 . . . . 0.0 110.338 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 35.2 m-85 -126.71 148.93 49.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.58 -51.61 61.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.9 p -107.92 -172.48 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.414 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.581 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 43.4 t60 -88.73 -40.68 13.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -49.02 -49.31 41.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -56.32 -18.83 11.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -89.24 -50.64 6.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.86 -24.34 35.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.582 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -71.96 -44.51 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.651 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -57.57 -43.33 84.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 24.3 mmt -39.59 -30.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.87 -32.07 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.749 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.9 mmmt -100.49 38.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . 17.5 p-10 -79.92 120.12 23.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.3 mttt 67.12 10.39 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.36 131.24 42.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -66.32 97.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 6.3 ttm -59.05 -60.42 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -113.77 -74.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -146.27 17.43 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.614 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -136.25 168.74 18.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -107.63 105.94 16.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -90.77 140.83 15.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -91.4 117.78 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 74' ' ' LYS . 29.0 mt -98.48 137.43 37.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 85' ' ' GLU . 91.4 m-85 -130.55 111.79 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.819 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 11.2 tp -79.47 104.81 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -117.03 105.38 12.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.552 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 36.8 t -143.08 147.33 34.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.022 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -70.87 -37.01 73.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 59.82 179.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.45 -70.46 0.16 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.4 p -84.95 177.41 7.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 0.743 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 86.2 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.93 82.64 0.35 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.7 p -114.6 172.92 6.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.65 95.69 0.56 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 165.71 30.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.3 t -177.85 150.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.52 -58.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 111.012 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -133.32 129.31 37.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.0 -173.33 18.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.48 -58.36 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t 43.29 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.11 156.43 26.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.33 96.61 10.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.06 154.24 2.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' A' ' 12' ' ' SER . 53.7 t80 -81.22 142.42 33.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -147.87 71.9 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.52 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . 24.6 p -60.38 112.75 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 p -96.51 -69.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 p -107.81 -52.5 2.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.17 -47.32 0.81 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -84.61 116.73 23.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.6 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.2 t -143.01 146.95 34.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.09 121.51 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -85.39 156.74 20.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.2 mtp -133.31 138.02 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 20' ' ' MET . 4.6 mtt180 -145.68 148.36 32.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.43 58.55 8.44 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.5 159.36 30.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.622 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.02 138.55 23.14 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 0.0 111.034 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 53' ' ' ARG . 2.2 t80 -55.27 -17.87 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -108.2 37.28 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.622 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -104.88 137.09 43.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' ASP . 2.1 t -134.22 161.78 33.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 3.4 mt-10 -47.41 -37.28 11.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.17 -37.99 84.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 28' ' ' THR . 5.1 m-20 -72.96 -42.67 63.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 46' ' ' ILE . 85.0 mt -63.66 -30.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.4 m-85 -71.85 -39.77 69.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -84.77 -17.75 37.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 53.0 t80 -78.86 -14.23 59.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 13.0 m-85 -113.5 -14.62 12.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.678 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -67.03 155.77 89.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.3 Cg_endo -75.03 117.92 4.97 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.068 -2.472 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.678 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.6 mt -165.29 175.34 9.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -138.6 93.23 11.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 120.95 6.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 3.4 mmt -43.99 -45.63 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' CG ' ' O ' ' A' ' 42' ' ' MET . 6.6 mtm-85 -165.23 137.98 4.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 35.8 t -110.01 130.75 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.477 ' CD2' ' HB2' ' A' ' 59' ' ' ASP . 4.7 t60 -108.41 131.2 55.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.853 HD11 HD12 ' A' ' 32' ' ' ILE . 7.1 mm -115.38 103.03 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.86 115.44 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 52' ' ' GLY . 29.8 mm -98.26 140.85 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.27 -176.72 51.58 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 67.64 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -177.93 -57.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 48' ' ' ILE . . . 156.97 -35.64 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 2.8 mmt180 -66.69 155.76 37.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 46' ' ' ILE . 3.5 m -58.06 176.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.0 p -114.57 -28.36 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.59 -16.32 7.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 20' ' ' MET . 27.4 mt-10 -103.32 156.5 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.675 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -153.17 150.37 28.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -118.55 121.38 40.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.6 t -110.58 131.7 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.4 tp10 -113.95 143.62 44.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 57.1 m-85 -133.95 146.3 50.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -52.29 58.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.2 p -105.73 -172.25 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 110.381 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.724 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 23.6 t60 -88.62 -48.59 7.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -45.25 -57.46 3.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.66 -26.82 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.34 -68.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG22 HD22 ' A' ' 88' ' ' LEU . 55.3 t -48.91 -37.24 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -59.06 -39.56 82.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.858 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -75.45 -29.98 59.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 64.2 mmm -66.91 -7.61 23.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.47 -10.95 58.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.614 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -106.16 29.16 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 1.6 p-10 -72.55 120.1 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 4.6 mttt 88.82 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.21 124.6 1.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 17.8 p30 -68.95 97.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 8.7 ttm -37.96 -46.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -128.49 -78.01 0.56 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.583 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 48.8 p-80 -137.48 11.66 2.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.583 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 12.8 mmt180 -131.31 138.45 49.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -69.12 104.21 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.646 HG13 ' HG ' ' A' ' 23' ' ' LEU . 20.6 t -88.2 157.09 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.44 149.61 37.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.614 HD12 ' C ' ' A' ' 74' ' ' LYS . 65.6 mt -136.07 127.44 28.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -115.65 110.6 19.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD11 ' HE1' ' A' ' 65' ' ' HIS . 45.2 tp -67.72 116.09 8.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -132.78 104.73 6.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.71 169.57 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.5 -30.13 11.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.89 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.43 -139.99 3.33 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -78.17 157.32 29.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 0.759 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.3 165.04 34.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 140.25 148.36 5.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.29 164.35 26.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 109.962 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.99 -84.89 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.56 13.42 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.517 1.799 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 99.8 p -70.72 159.2 34.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.58 168.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.036 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -98.63 158.47 15.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p -168.74 129.11 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.13 133.51 1.97 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.3 p -62.08 111.86 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 0.749 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -89.0 -58.17 2.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 91.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.4 t -175.56 -58.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.12 98.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -130.0 148.98 51.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -141.27 124.54 16.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -93.41 105.03 17.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.0 p -146.39 -57.82 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -116.57 -48.06 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.56 -45.83 1.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -82.1 114.8 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.7 m -142.84 165.08 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.9 t -137.41 122.0 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.3 t60 -85.11 147.12 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.654 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.784 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 19.8 mtp -122.09 137.61 54.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -149.66 154.5 38.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.57 58.95 10.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -99.29 158.2 32.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.876 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.99 159.64 41.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -64.63 -35.2 80.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -100.66 49.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.876 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -116.21 111.73 20.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' ASP . 14.2 t -113.26 163.16 15.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 8.7 mt-10 -42.79 -47.36 5.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -49.74 -40.36 40.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -70.44 -50.4 38.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 46' ' ' ILE . 38.9 mt -56.64 -27.67 25.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 5.0 m-85 -74.91 -40.14 61.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -78.6 -28.66 45.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -68.32 -32.83 73.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.848 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -91.41 -16.76 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.683 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.1 156.25 84.99 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 117.87 4.94 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.492 . . . . 0.0 110.968 0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.4 mt -167.05 173.41 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.33 93.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.01 140.17 25.11 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -35.55 74.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.8 ptt85 -179.11 140.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.9 t -116.33 116.86 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -95.85 128.75 43.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -106.01 119.51 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -82.66 118.17 23.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -98.84 132.31 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.72 -89.37 0.76 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.4 Cg_endo -75.01 51.16 2.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.6 m-20 37.58 41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -170.92 -54.43 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -88.1 162.3 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 m -92.36 157.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -93.13 -27.28 17.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.33 9.5 21.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 5.8 mt-10 -117.89 156.08 29.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -157.65 159.59 37.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.08 134.07 53.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.848 HG21 ' CE2' ' A' ' 36' ' ' PHE . 20.7 t -122.94 147.25 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 136.45 46.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 48.5 m-85 -128.5 143.04 50.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.89 -54.06 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.5 p -109.28 -174.55 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.728 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 39.5 t60 -83.73 -41.27 17.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -46.63 -57.83 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.603 ' OD1' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -50.09 -23.38 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.52 -62.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 HD21 ' A' ' 88' ' ' LEU . 64.8 t -54.63 -31.94 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.734 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -62.46 -45.57 92.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.796 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.63 -43.07 66.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' HD13 ' A' ' 88' ' ' LEU . 64.4 mmm -50.7 -21.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.28 -23.66 64.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.413 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -94.79 39.68 1.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 31.9 p-10 -85.71 141.7 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.9 OUTLIER 70.23 -56.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.82 131.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 7.9 m120 -66.57 134.01 51.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.716 ' HB2' HG21 ' A' ' 84' ' ' VAL . 2.8 ttm -78.57 -61.99 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.607 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 3.4 mm-40 -116.18 -12.03 11.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER 160.26 -25.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 109.627 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 9.8 mmt85 -95.17 149.81 20.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -76.87 105.53 7.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.716 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.5 t -87.73 151.23 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.62 145.05 41.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 74' ' ' LYS . 93.2 mt -133.73 132.36 40.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -117.3 110.98 18.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.571 HD11 ' CE1' ' A' ' 65' ' ' HIS . 17.2 tp -68.45 113.88 6.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -129.04 103.82 7.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.82 169.64 17.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 -33.55 9.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 60.3 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.19 119.12 0.84 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.5 p -134.96 165.55 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 p -171.3 129.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.99 -111.36 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.105 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 t 67.23 152.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -165.15 179.66 39.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.82 9.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.3 m -65.96 -60.81 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.9 t 50.06 89.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.058 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.62 -58.73 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -98.0 98.8 10.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.18 -116.4 0.36 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -86.74 -59.95 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.54 82.09 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.6 133.92 3.93 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.441 1.088 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -175.03 101.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 71.08 131.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -49.76 139.85 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -146.78 113.74 6.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -67.11 128.56 36.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -88.92 -57.56 2.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.394 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -130.31 -52.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.35 -52.97 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.2 m-70 -79.47 119.49 22.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.614 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.6 m -143.18 168.33 20.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.339 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.69 115.76 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -85.57 149.25 25.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.707 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 23.0 mtp -127.08 136.3 51.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -146.43 146.52 30.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 68.67 56.95 8.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.34 150.09 36.38 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.773 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 126.74 10.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.46 -26.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' N ' ' C ' ' A' ' 24' ' ' PRO . 1.3 mmp_? -76.13 -46.72 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.719 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -39.0 135.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' ASP . 11.1 t -134.66 162.5 32.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -44.45 -48.83 10.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -51.69 -37.39 50.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 48.9 m-20 -76.9 -54.3 6.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 46' ' ' ILE . 48.1 mt -47.14 -25.63 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -74.79 -41.42 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -87.8 -9.24 54.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ASP . 48.7 t80 -79.96 -11.73 59.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.162 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.944 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 6.4 m-85 -119.25 -8.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 2.0 m -67.66 156.59 88.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.01 117.76 4.87 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 9.2 mt -165.35 175.68 8.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.76 92.59 11.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 121.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.779 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -37.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -176.45 142.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' CG1' HG21 ' A' ' 32' ' ' ILE . 28.1 t -105.72 112.17 37.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -91.16 124.92 35.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD11 ' CD1' ' A' ' 32' ' ' ILE . 6.0 mm -107.05 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -60.07 121.39 11.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' GLY . 46.3 mm -102.85 149.49 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -88.68 -176.68 46.91 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.421 1.075 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.72 6.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 170.41 -51.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 158.0 -35.07 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -55.73 133.96 51.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 54' ' ' VAL . 2.7 m -59.28 170.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -112.56 -26.87 8.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.47 1.07 26.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' MET . 16.4 mt-10 -106.28 155.11 19.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.707 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -151.53 148.88 28.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.88 128.11 52.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.782 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.4 t -117.75 152.24 19.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.95 133.95 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 64.1 m-85 -125.36 148.9 48.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.32 -52.21 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.5 p -99.85 -176.46 3.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.709 ' HE1' HD11 ' A' ' 88' ' ' LEU . 29.0 t60 -87.7 -46.57 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 5.4 mm-40 -44.28 -48.74 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -55.1 -35.96 65.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -68.78 -70.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG23 ' CE1' ' A' ' 65' ' ' HIS . 94.0 t -50.71 -29.61 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.81 -48.91 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.944 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -50.92 -33.86 26.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 65.4 mmm -62.28 -11.85 17.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -17.58 31.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.74 31.42 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.735 ' HA ' HD12 ' A' ' 86' ' ' LEU . 2.4 p-10 -74.39 134.18 42.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.5 mmtm 83.72 -47.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.52 124.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 3.2 p30 -78.44 104.32 8.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.402 ' SD ' ' HB2' ' A' ' 35' ' ' PHE . 1.6 tpp -40.4 -45.31 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -125.33 -72.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CE1' ' NE ' ' A' ' 82' ' ' ARG . 8.2 p-80 -150.33 21.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.576 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NE ' ' CE1' ' A' ' 81' ' ' HIS . 13.1 mmt180 -134.29 136.24 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -76.88 101.65 6.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.79 139.24 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -91.49 140.68 29.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.2 mt -126.03 121.32 32.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -108.47 111.24 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.752 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -79.84 97.02 6.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -105.23 106.01 16.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.498 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -142.57 168.41 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.963 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -98.27 -41.9 7.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 58.04 161.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.71 -108.35 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.2 t -114.3 159.28 20.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.0 t -120.71 148.91 43.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.26 165.08 14.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.45 1.093 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.75 140.04 24.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.06 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -162.66 75.24 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.59 43.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.85 159.33 19.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.48 122.82 0.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 110.033 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -107.35 90.72 3.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.52 147.56 29.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.53 147.45 6.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -103.28 150.05 24.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 p -167.37 149.92 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.4 -105.65 0.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -103.24 157.1 17.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.7 p 50.28 97.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 34.4 t80 -50.69 161.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -140.16 114.92 9.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 13' ' ' THR . 68.2 p -61.26 -66.23 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 14' ' ' THR . 30.5 p 49.93 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 13' ' ' THR . 65.0 p 40.41 95.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.76 -34.51 1.88 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 1.1 m-70 -79.6 116.75 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 14' ' ' THR . 62.2 m -143.66 171.17 14.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.44 122.75 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 109.229 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -85.58 149.51 25.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.6 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.717 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.6 mtp -131.68 135.8 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' NE ' ' CD ' ' A' ' 57' ' ' GLU . 49.4 mtp180 -147.92 157.58 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 61.94 50.24 67.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.105 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -92.62 155.0 42.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.03 157.38 42.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -65.9 -37.84 87.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.78 39.43 1.01 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.944 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.44 110.97 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 t -110.48 179.46 4.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -58.04 -43.83 87.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.7 -21.99 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.85 -52.31 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HG23 ' HE1' ' A' ' 20' ' ' MET . 13.5 mt -56.87 -21.43 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -76.8 -36.92 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.33 -19.04 27.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -75.99 -26.9 57.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.859 ' CE2' HG21 ' A' ' 60' ' ' VAL . 8.8 m-85 -99.09 -13.67 19.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.668 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.61 155.88 87.76 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.01 118.49 5.34 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.999 0.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.668 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.8 mt -166.49 175.65 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.2 93.08 11.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 122.58 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' GLU . 1.1 mmt -46.58 -34.0 4.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 178.23 140.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.77 126.29 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -102.96 134.53 46.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD11 HD12 ' A' ' 32' ' ' ILE . 1.8 mm -113.64 101.73 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 55' ' ' THR . 31.1 tt0 -65.04 123.76 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 52' ' ' GLY . 45.6 mm -99.96 145.4 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.78 -89.03 0.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -74.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -161.56 33.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.696 ' O ' HD12 ' A' ' 48' ' ' ILE . . . 179.68 -65.25 0.07 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -47.2 160.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.15 164.62 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 47' ' ' GLU . 6.8 p -98.05 -32.46 11.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.59 -3.01 17.9 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 20' ' ' MET . 19.1 mt-10 -108.61 154.61 21.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.58 158.45 44.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.16 131.97 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.859 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.6 t -119.94 153.75 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.1 mp0 -134.53 137.33 43.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 79.2 m-85 -135.67 141.62 45.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -61.04 -55.22 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 p -95.39 -177.91 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.5 t60 -89.04 -43.74 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.57 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -49.17 -54.14 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.03 -18.19 13.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.49 -42.27 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' A' ' 88' ' ' LEU . 40.1 t -69.0 -46.22 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -62.18 -34.74 77.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -65.22 -54.42 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.59 ' HG2' HD13 ' A' ' 88' ' ' LEU . 2.3 ppp? -75.08 -2.61 28.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -64.15 -12.88 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.488 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -98.53 29.12 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.8 t70 -62.03 133.04 54.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 3.2 mmmt 83.67 -48.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -38.12 123.84 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.0 p30 -72.2 124.92 26.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.545 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 24.4 ttm -72.63 -44.07 62.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -127.46 -77.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.543 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 52.1 p-80 -139.18 13.16 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 14.3 mmt180 -130.96 163.07 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -103.76 104.7 14.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -89.51 139.64 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -92.11 133.06 36.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 74' ' ' LYS . 76.0 mt -118.6 126.88 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -118.02 111.82 19.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.59 HD13 ' HG2' ' A' ' 72' ' ' MET . 61.6 tp -63.86 120.07 11.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -136.63 104.92 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.6 t -143.75 169.75 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -95.74 -37.83 10.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.37 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 57.43 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.43 172.48 14.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.67 131.83 43.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 m -134.58 134.44 41.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -107.75 66.65 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.4 p -136.93 104.11 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 0.74 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -63.88 169.12 22.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.9 m 56.41 89.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.951 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.15 119.23 33.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.39 158.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -115.83 138.23 51.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.99 -156.58 32.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -153.35 -57.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -150.81 144.19 24.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.65 164.99 20.03 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.84 161.34 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 t -136.86 -47.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.041 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.82 -52.54 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' SER . 12.5 mt-30 71.87 -63.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER 85.18 -48.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' O ' ' A' ' 14' ' ' THR . 69.7 p -83.41 175.54 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 61' ' ' GLU . 33.1 p 39.74 94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.6 65.49 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -84.95 111.42 19.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 0.802 . . . . 0.0 109.619 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 91.0 m -142.77 157.64 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.34 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 t -128.08 119.78 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -85.17 157.95 20.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.619 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.802 ' HB3' HD11 ' A' ' 23' ' ' LEU . 23.0 mtp -132.51 140.66 48.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.6 mtt180 -148.28 151.34 35.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.57 58.43 12.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.42 161.52 24.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.1 Cg_endo -74.99 161.57 38.57 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -71.31 -17.24 62.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -112.28 42.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -107.45 125.46 51.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -130.1 171.23 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.438 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.13 -50.57 66.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.19 -36.15 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -75.96 -56.05 5.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.6 mt -49.32 -30.64 4.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.1 m-85 -70.15 -45.92 65.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -72.51 -39.77 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 51.7 t80 -55.81 -56.09 24.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.958 ' CE2' HG21 ' A' ' 60' ' ' VAL . 11.5 m-85 -67.06 -16.9 64.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.58 154.18 88.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.96 118.71 5.47 Favored 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.009 -0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.4 mt -166.3 175.45 8.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.46 92.65 11.68 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -74.98 120.9 6.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.438 1.757 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.47 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 15.8 mmm -48.4 -42.89 33.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 42' ' ' MET . 12.7 mtt180 -162.74 134.57 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.78 119.55 61.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -109.41 131.84 54.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.569 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mm -96.76 100.75 11.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.27 120.77 13.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 53' ' ' ARG . 6.8 mm -101.49 142.08 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -69.38 -97.37 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.01 52.21 3.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . 7.5 t70 37.45 38.62 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.02 -53.14 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' GLY . 8.3 mtm180 -101.52 149.61 23.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' H ' HG22 ' A' ' 54' ' ' VAL . 3.9 m -68.57 154.37 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.12 -18.62 12.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 102.12 13.81 30.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 14.2 mt-10 -111.35 155.83 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.18 150.49 22.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.56 131.65 56.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.958 HG21 ' CE2' ' A' ' 36' ' ' PHE . 24.8 t -120.5 157.03 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' CG ' ' OG1' ' A' ' 14' ' ' THR . 2.2 tm-20 -139.31 136.27 34.67 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 44.2 m-85 -128.45 138.13 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.73 -55.31 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.6 p -103.05 -174.8 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.449 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.662 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 52.0 t60 -86.9 -39.72 15.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -47.67 -53.11 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -54.47 -22.3 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.827 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -81.14 -58.44 3.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG22 ' CD2' ' A' ' 88' ' ' LEU . 93.0 t -57.83 -30.26 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -66.03 -31.33 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -70.1 -37.64 75.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HE2' ' CB ' ' A' ' 86' ' ' LEU . 26.3 mmt -52.38 -19.35 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.69 87.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -92.53 35.53 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 52.7 p-10 -86.41 140.76 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.7 mttp 71.22 -55.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -30.74 124.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.429 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 4.2 p30 -66.07 97.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -39.44 -42.4 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -133.92 -77.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.501 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 6.5 p-80 -137.54 10.82 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 9.4 mmt180 -133.32 143.19 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -73.69 107.43 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.74 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.4 t -88.61 157.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -119.25 136.78 54.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' C ' ' A' ' 74' ' ' LYS . 95.1 mt -122.03 134.57 54.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.73 111.2 15.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.827 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 42.3 tp -76.28 109.54 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -122.38 105.86 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.18 169.66 17.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.53 -28.69 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.42 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.96 -177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.21 67.26 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -119.17 143.92 46.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.7 p -164.48 142.6 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 155.81 162.72 11.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.2 m -140.26 160.24 40.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.956 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 177.36 157.65 18.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.525 1.14 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.69 6.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.9 p 46.18 93.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -76.33 92.86 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.92 159.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.28 127.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 93.69 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.466 1.104 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.9 m 50.31 93.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 0.798 . . . . 0.0 110.054 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -114.72 117.19 30.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.95 153.93 3.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.5 t -75.35 151.13 38.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.956 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -171.1 161.76 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 1.4 t80 57.1 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 1.4 tt0 -171.04 43.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.3 86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.5 p -123.0 -62.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 75.7 p -122.41 -61.87 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.46 -47.29 0.88 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.47 119.41 23.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.612 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.2 m -143.36 163.39 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.316 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 36' ' ' PHE . 2.5 t -135.98 119.38 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -85.89 150.08 24.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.612 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.748 ' HB3' HD11 ' A' ' 23' ' ' LEU . 24.7 mtp -126.32 139.0 53.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.953 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -148.34 149.93 32.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.33 56.76 15.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.66 156.59 36.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.97 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 153.93 42.07 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -65.76 -21.42 66.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -107.27 40.66 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.97 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.09 115.5 22.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t -115.02 174.58 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 6.3 mt-10 -51.24 -55.27 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -45.41 -27.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -81.37 -54.98 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD12 HD11 ' A' ' 46' ' ' ILE . 18.4 mt -54.3 -20.08 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 1.8 m-85 -78.94 -40.99 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -88.17 -15.04 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 24.4 t80 -75.35 -33.73 61.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.01 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.6 m-85 -94.32 -6.68 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.679 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -66.8 157.44 83.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 117.57 4.74 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.007 -2.497 . . . . 0.0 111.051 -0.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.4 mt -167.68 173.96 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -138.3 94.33 10.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.02 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -41.73 -43.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 111.025 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -166.96 144.02 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.446 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 46.6 t -119.97 132.38 69.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 19.0 t60 -114.13 138.78 49.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.561 HD11 HD12 ' A' ' 32' ' ' ILE . 3.2 mm -113.01 124.51 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 55' ' ' THR . 0.8 OUTLIER -80.52 129.2 34.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.945 HG23 ' O ' ' A' ' 53' ' ' ARG . 9.1 mm -129.16 141.74 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -66.89 -94.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -65.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -177.73 38.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.83 -77.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.945 ' O ' HG23 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -57.52 154.16 11.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 ' HA ' HD13 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -109.13 146.57 14.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.1 p -78.49 -29.71 46.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.519 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.19 6.72 25.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.6 mt-10 -105.23 153.27 21.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 0.807 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.3 154.27 31.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.53 128.85 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG21 ' HE2' ' A' ' 36' ' ' PHE . 6.1 t -120.1 152.55 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.7 tm-20 -136.14 143.42 44.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 51.2 m-85 -131.09 147.49 52.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.27 96.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.2 p -115.14 -173.98 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.6 ' CE1' HD11 ' A' ' 88' ' ' LEU . 46.0 t60 -88.22 -41.88 12.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -50.6 -44.71 57.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -61.12 -19.0 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' HA ' ' CD2' ' A' ' 62' ' ' PHE . . . -87.83 -49.9 6.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.74 HG22 ' CD2' ' A' ' 88' ' ' LEU . 55.8 t -69.44 -23.04 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.621 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -72.62 -38.16 67.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 1.01 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -68.52 -34.03 75.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' ASP . 25.2 mmt -51.47 -24.53 5.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.84 -29.07 25.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.87 25.68 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 86' ' ' LEU . 29.8 p-10 -74.55 136.6 42.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.7 OUTLIER 78.1 -52.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -35.86 124.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 10.0 p-10 -70.92 114.27 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 27.7 ttm -54.9 -34.14 62.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -134.46 -75.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -145.78 16.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.594 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 14.5 mmt180 -133.7 141.69 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -82.57 102.21 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.37 142.07 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.51 135.52 37.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.28 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 75' ' ' ASP . 73.9 mt -121.18 126.26 49.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -114.38 111.57 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.74 ' CD2' HG22 ' A' ' 69' ' ' VAL . 15.5 tp -74.03 105.38 5.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -113.59 106.64 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.536 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.1 t -141.88 163.48 32.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -33.01 13.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.24 171.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.42 156.67 23.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 63.6 p -95.25 124.09 39.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.43 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.8 p -102.06 157.13 17.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -104.96 141.35 15.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 t -145.34 152.07 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.07 135.37 24.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -69.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.06 68.39 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 m -142.9 157.7 44.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -137.17 91.02 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.791 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 161.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.57 71.74 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -94.3 153.35 18.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.727 . . . . 0.0 110.061 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -118.25 -50.41 2.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' SER . . . 68.69 -71.02 0.38 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m 60.89 -83.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.755 . . . . 0.0 109.984 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 7' ' ' GLY . 78.5 p -104.0 161.49 13.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -63.54 146.28 53.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -139.43 157.64 45.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.2 p -112.43 106.76 15.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' THR . 77.4 p -123.87 -41.61 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 13' ' ' THR . 13.3 p -153.14 98.93 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.93 -38.63 0.77 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -83.41 119.67 24.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.572 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.9 m -142.39 168.58 19.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -148.3 109.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.455 ' NE2' ' OE2' ' A' ' 57' ' ' GLU . 11.0 t60 -85.78 157.25 20.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 13.2 mtp -126.41 150.53 48.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -150.65 143.06 24.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.49 28.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.421 1.076 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -88.73 155.85 50.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.797 . . . . 0.0 109.26 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.753 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.95 161.55 38.69 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -68.56 -33.58 74.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -97.44 47.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.753 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -120.62 129.38 53.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -132.62 177.64 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.367 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -56.91 -58.55 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.18 -38.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -75.05 -49.0 21.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.594 HG23 ' HE1' ' A' ' 20' ' ' MET . 24.7 mt -56.83 -20.93 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.504 ' CD1' ' HD2' ' A' ' 41' ' ' PRO . 2.5 m-85 -79.04 -41.81 27.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.84 -24.82 30.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 20.9 t80 -69.04 -20.14 64.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.63 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 2.1 m-85 -110.58 -4.87 15.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -67.79 157.58 86.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.991 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.95 117.44 4.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.995 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.29 171.95 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.65 92.66 11.36 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.504 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -74.96 121.38 6.56 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -42.82 -43.3 3.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.947 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -172.55 150.31 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.538 HG11 HG21 ' A' ' 32' ' ' ILE . 96.6 t -127.16 117.01 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -89.06 120.27 30.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.591 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mm -92.23 105.32 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' HG21 ' A' ' 55' ' ' THR . 38.5 tt0 -66.1 124.51 22.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 52' ' ' GLY . 49.7 mm -108.59 139.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.64 -90.19 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.086 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -65.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -173.51 35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 48' ' ' ILE . . . -176.75 -65.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.12 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.99 152.62 5.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.17 156.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.439 HG21 ' HG2' ' A' ' 47' ' ' GLU . 11.1 p -92.93 -27.07 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.43 2.89 27.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.455 ' OE2' ' NE2' ' A' ' 19' ' ' HIS . 24.8 mt-10 -109.21 155.84 20.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -158.19 137.87 12.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.5 119.98 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG21 ' HE2' ' A' ' 36' ' ' PHE . 18.3 t -103.61 157.45 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -134.11 136.66 44.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 57.8 m-85 -134.15 138.57 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -57.99 -56.61 19.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 p -101.28 -177.17 3.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.542 ' CE1' ' HB3' ' A' ' 90' ' ' SER . 27.8 t60 -86.65 -47.65 8.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -42.84 -48.23 5.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -52.98 -40.19 63.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -60.66 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CD2' ' A' ' 88' ' ' LEU . 54.0 t -44.53 -40.73 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.609 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -56.66 -43.11 80.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -66.98 -30.46 70.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -71.12 -3.16 18.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -19.69 6.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -109.33 18.19 20.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' HD23 ' A' ' 86' ' ' LEU . 11.5 p-10 -42.55 96.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER 74.67 56.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -105.47 -157.2 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.354 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -125.94 97.16 5.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.516 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 2.8 ttm -70.93 -53.94 13.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -123.24 -74.19 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -147.72 17.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.596 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 10.8 mmt180 -135.12 -179.56 5.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -120.21 107.83 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.051 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -91.35 137.84 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.25 118.94 31.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 75' ' ' ASP . 2.0 mm? -92.35 136.23 33.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -120.74 110.54 16.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.724 ' CD2' HG22 ' A' ' 69' ' ' VAL . 56.5 tp -78.13 113.13 15.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.238 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -128.25 105.64 8.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.542 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -142.98 169.53 17.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.2 m -102.48 -36.56 8.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.27 140.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -163.36 85.88 0.11 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.0 t -167.03 123.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 0.784 . . . . 0.0 110.361 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.19 -171.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.3 -155.85 6.59 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.85 136.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.55 157.6 15.03 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.15 23.88 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 m -88.66 156.34 19.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.555 1.159 . . . . 0.0 109.987 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.7 p -115.78 153.53 31.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 110.05 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 t -112.49 141.34 46.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.66 155.76 27.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.04 169.02 36.02 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.6 161.99 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -74.54 128.19 34.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.04 -169.68 28.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -153.74 95.84 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.27 134.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -63.65 125.43 24.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.59 ' O ' HG23 ' A' ' 13' ' ' THR . 1.7 mm-40 -138.03 91.21 2.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 p -43.55 147.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.983 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' GLN . 61.6 p -140.77 -57.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 13' ' ' THR . 11.3 p -154.54 99.29 2.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.445 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -37.14 -37.37 0.26 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 4.0 m-70 -76.45 117.41 18.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 109.629 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 94.7 m -143.37 169.68 17.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 108.324 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG21 ' HE2' ' A' ' 62' ' ' PHE . 3.2 t -147.4 110.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.5 t60 -85.71 151.74 23.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.79 ' HB3' HD11 ' A' ' 23' ' ' LEU . 36.5 mtp -125.41 143.27 51.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 85' ' ' GLU . 0.9 OUTLIER -146.5 151.95 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.54 57.74 17.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.43 155.41 37.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 129.82 12.7 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -43.91 -30.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.04 41.17 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.99 130.25 55.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.8 p -118.26 178.07 4.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 1.5 mp0 -69.42 -40.76 77.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.99 -43.49 86.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -64.82 -41.35 95.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.683 HD12 HD11 ' A' ' 46' ' ' ILE . 97.0 mt -64.3 -34.21 67.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.3 m-85 -66.75 -37.67 85.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.45 -39.05 19.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -54.02 -19.43 4.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.809 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -104.98 -14.13 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.671 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.08 151.43 86.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.97 119.38 5.92 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.024 -0.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.671 ' N ' ' HA ' ' A' ' 37' ' ' SER . 7.7 mt -167.1 170.98 11.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -138.97 92.48 10.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.4 Cg_endo -75.01 135.98 19.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -37.3 75.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -171.42 149.02 2.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 t -108.82 117.62 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -108.87 94.33 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.683 HD11 HD12 ' A' ' 32' ' ' ILE . 2.0 mm -71.8 102.77 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.83 129.83 44.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 53' ' ' ARG . 50.0 mm -103.96 130.6 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -52.11 -88.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -74.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -174.65 35.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 48' ' ' ILE . . . -174.71 -39.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.537 ' O ' HG23 ' A' ' 48' ' ' ILE . 54.5 mtt180 -97.77 146.89 24.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.409 ' H ' HG22 ' A' ' 54' ' ' VAL . 4.7 m -74.6 157.2 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 -15.57 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.51 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 105.22 9.48 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 18.7 mt-10 -109.33 155.42 21.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 0.742 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.626 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -155.03 145.24 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.69 119.6 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 36' ' ' PHE . 4.9 t -105.65 157.81 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.0 123.42 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.493 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 39.8 m-85 -115.37 144.18 44.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.94 52.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 p -101.16 -175.41 2.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.612 ' CE1' ' OG ' ' A' ' 90' ' ' SER . 31.4 t60 -88.95 -43.4 11.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.595 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ALA . 1.5 mm-40 -50.01 -47.59 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' HD13 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -56.14 -21.61 23.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -89.57 -57.97 2.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG23 ' CE1' ' A' ' 65' ' ' HIS . 54.6 t -59.59 -18.87 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 66' ' ' GLU . . . -77.41 -32.0 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -71.91 -23.35 61.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.453 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 17.3 mmt -60.05 -13.68 12.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.69 -31.0 61.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.27 14.2 17.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.79 ' HA ' HD12 ' A' ' 86' ' ' LEU . 26.9 p-10 -67.27 141.78 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' ALA . 12.1 mttt 72.51 -55.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -32.06 122.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' CD1' ' A' ' 83' ' ' TYR . 0.7 OUTLIER -71.64 123.69 23.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.2 ttm -63.09 -32.09 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -136.06 -73.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -147.05 17.5 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.61 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 13.0 mmt180 -133.35 138.11 46.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.59 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 97.5 m-85 -79.79 102.7 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.36 137.7 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ARG . 9.5 mm-40 -93.3 125.91 38.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 75' ' ' ASP . 84.6 mt -108.53 133.65 52.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 97.1 m-85 -118.23 111.44 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.835 HD13 ' O ' ' A' ' 88' ' ' LEU . 1.5 tm? -82.98 96.06 8.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -106.31 106.77 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.612 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.23 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -97.48 -36.26 10.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.1 -177.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.61 -128.99 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -110.42 148.34 32.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -174.5 123.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.76 -141.76 6.39 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 t 71.78 110.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -153.3 -174.25 23.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -179.78 5.3 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.803 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.97 -59.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.4 142.28 39.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -145.38 -58.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.73 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.29 121.06 3.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 -104.75 0.47 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -39.57 121.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 110.036 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.43 111.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 -131.24 1.34 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.2 p -144.77 -47.3 0.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.7 t -151.64 -69.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 78.9 t80 -122.35 170.56 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER 175.36 107.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -64.0 154.87 32.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -138.1 -61.87 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.2 p -114.33 -66.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.71 -46.48 1.07 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -82.32 110.82 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.612 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 m -141.33 163.53 32.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 108.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.403 HG22 ' SD ' ' A' ' 72' ' ' MET . 2.2 t -132.65 121.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -85.8 139.58 31.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 1.008 ' HB3' HD11 ' A' ' 23' ' ' LEU . 27.9 mtp -119.51 134.92 55.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 85' ' ' GLU . 4.4 mtm180 -142.85 158.12 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . . . 58.85 50.79 63.83 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.008 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.5 OUTLIER -93.87 154.42 40.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.557 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.0 158.76 42.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.98 -54.19 29.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 0.7 OUTLIER -57.93 -19.23 28.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.557 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -46.14 130.13 10.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' OD2' ' A' ' 31' ' ' ASP . 1.7 t -134.32 162.46 32.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 1.2 mt-10 -55.97 -31.84 63.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.83 -29.22 70.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.453 ' OD2' HG22 ' A' ' 28' ' ' THR . 2.0 m-20 -84.05 -55.79 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.654 HD12 HD11 ' A' ' 46' ' ' ILE . 66.2 mt -45.81 -26.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.506 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.7 m-85 -75.76 -40.21 55.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' ASP . 1.7 m-80 -85.08 -18.91 32.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 31' ' ' ASP . 17.4 t80 -75.44 -13.72 60.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.3 m-85 -116.65 -12.57 10.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.677 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.37 157.09 86.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.94 117.34 4.58 Favored 'Cis proline' 0 C--N 1.359 1.109 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.044 -0.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.677 ' N ' ' HA ' ' A' ' 37' ' ' SER . 8.0 mt -166.2 175.31 8.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.72 94.2 10.45 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.02 121.35 6.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.546 1.814 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.487 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 1.6 mmt -44.01 -43.25 6.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' CG ' ' O ' ' A' ' 42' ' ' MET . 45.4 mtt180 -163.33 142.39 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 32' ' ' ILE . 40.0 t -108.14 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 11.8 t60 -76.63 116.24 17.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD12 ' A' ' 32' ' ' ILE . 12.0 mm -105.21 116.26 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -91.12 117.81 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.9 mm -101.97 127.03 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.485 ' CA ' HG22 ' A' ' 55' ' ' THR . . . -67.02 -97.4 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -74.98 48.19 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' PRO . 17.5 m-20 38.76 43.68 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -159.61 -53.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -113.74 140.6 48.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 110.279 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG22 ' H ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -56.75 176.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 HG22 ' CA ' ' A' ' 49' ' ' GLY . 7.0 p -117.64 -10.12 10.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 97.98 17.5 29.86 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 7.1 mt-10 -124.25 152.44 42.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.343 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -158.15 147.44 19.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' CB ' ' HB3' ' A' ' 45' ' ' HIS . 0.2 OUTLIER -117.79 122.93 44.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.876 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.8 t -108.49 148.09 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.82 136.95 46.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 63.2 m-85 -131.22 137.55 48.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.34 -55.86 18.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.6 p -100.81 -174.65 2.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.717 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.1 t60 -88.48 -42.54 12.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.615 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -47.66 -53.13 15.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 1.5 m-20 -53.01 -21.05 3.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.82 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.1 t -51.34 -41.78 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.592 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -58.1 -38.72 76.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.598 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -73.58 -31.96 63.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG3' HD13 ' A' ' 88' ' ' LEU . 63.6 mmm -65.16 -19.8 66.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.25 -25.94 59.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 39.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD12 ' A' ' 86' ' ' LEU . 5.2 p30 -87.97 138.49 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.2 OUTLIER 80.96 -52.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -37.94 123.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p30 -72.68 108.07 5.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 29.2 ttm -47.83 -29.44 3.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -139.19 -80.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 40.1 p-80 -140.3 13.11 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.561 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.641 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 11.6 mmt180 -129.48 141.28 51.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -82.39 103.82 12.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 22' ' ' GLY . 1.0 OUTLIER -88.67 138.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . 1.8 mm-40 -93.21 135.31 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.823 HD21 ' HE3' ' A' ' 20' ' ' MET . 83.8 mt -122.9 133.55 54.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 87' ' ' PHE . 19.4 m-85 -120.39 111.32 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.525 HD13 ' HG3' ' A' ' 72' ' ' MET . 47.0 tp -66.15 108.94 2.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -123.04 106.23 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -142.72 169.51 17.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 93' ' ' GLY . 1.9 m -102.69 -43.51 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.86 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 91' ' ' THR . . . 157.45 -68.69 0.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.9 t -166.07 142.05 4.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.777 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 t -171.44 163.96 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 170.47 132.64 1.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.5 t -154.14 148.43 25.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 0.733 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.63 174.41 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 62.75 5.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.24 160.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.4 t -179.86 -58.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.1 . . . . 0.0 111.036 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m 45.28 81.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.78 -59.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.35 149.13 5.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 m -153.8 172.59 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.62 134.76 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 86.74 1.01 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.84 160.02 24.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 t -174.43 165.03 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 12' ' ' SER . 11.6 t80 -64.91 134.49 54.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -135.37 55.46 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 94.6 p 46.57 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.967 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.2 p -101.25 -157.66 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.7 p -45.56 -43.94 12.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.122 . . . . 0.0 110.417 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.78 -49.46 0.93 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.7 m-70 -72.29 110.22 6.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.578 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.49 145.99 34.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.01 114.23 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -85.15 159.58 20.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.803 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.0 mtp -127.96 148.75 50.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 28.0 mtt180 -148.44 143.57 26.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.19 53.59 25.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -90.6 151.18 43.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.07 157.42 42.5 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.32 -33.0 74.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -93.81 43.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.86 113.11 24.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 31' ' ' ASP . 72.4 p -112.38 155.01 24.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' CG1' ' A' ' 46' ' ' ILE . 4.4 mt-10 -44.54 -37.42 3.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.66 -40.89 96.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 35' ' ' PHE . 3.6 m-20 -70.96 -40.56 71.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.612 HG23 ' HE3' ' A' ' 20' ' ' MET . 49.6 mt -62.85 -29.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.6 m-85 -75.67 -39.77 57.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -85.01 -16.03 42.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 33.2 t80 -78.68 -18.42 54.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.662 ' CE2' ' HE3' ' A' ' 20' ' ' MET . 3.2 m-85 -112.66 -5.03 13.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.689 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -69.12 158.51 86.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.033 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.99 116.49 4.07 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.026 -2.489 . . . . 0.0 111.053 0.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 70' ' ' ALA . 9.3 mt -165.15 170.0 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -138.4 92.56 11.82 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.58 6.67 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.488 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER -39.63 -42.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' CG ' ' O ' ' A' ' 42' ' ' MET . 9.0 mtt-85 -164.54 148.39 9.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 32' ' ' ILE . 48.5 t -123.32 105.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.79 133.82 33.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.611 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.54 HD11 HD12 ' A' ' 32' ' ' ILE . 4.3 mm -111.71 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 55' ' ' THR . 2.8 tt0 -65.88 122.08 16.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 54' ' ' VAL . 25.0 mm -109.11 133.91 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -76.07 -91.99 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 18.3 Cg_endo -75.04 51.68 2.87 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' PRO . 57.6 m-20 38.44 33.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 50' ' ' PRO . . . -157.76 -54.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 48' ' ' ILE . 5.3 mtt180 -91.27 151.15 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 0.801 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG12 HD13 ' A' ' 48' ' ' ILE . 3.4 m -79.93 156.54 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.523 HG21 ' HG2' ' A' ' 47' ' ' GLU . 7.2 p -96.48 -27.09 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.555 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.49 3.13 27.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -110.83 154.73 23.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.71 141.36 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -107.19 124.27 49.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 41' ' ' PRO . 6.6 t -111.42 138.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.0 tp10 -117.85 142.73 46.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 58.5 m-85 -136.69 146.05 45.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.38 -53.08 48.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.234 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.0 p -104.13 -179.26 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.671 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 34.5 t60 -83.23 -44.39 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.588 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.84 -51.69 21.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -51.07 -23.43 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -79.37 -66.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.5 t -47.9 -34.92 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.833 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -61.04 -54.73 41.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -54.18 -38.22 65.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 75' ' ' ASP . 56.3 mmm -65.04 -8.25 15.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -53.79 -20.38 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -107.52 23.18 14.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.892 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -48.77 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 78.09 52.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -110.91 139.07 46.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -66.24 96.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.567 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 1.8 ttm -67.78 -55.74 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -123.93 -69.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 8.1 p-80 -146.81 16.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.582 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 21.9 mmt180 -141.57 173.77 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.58 109.1 18.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.06 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -96.43 130.05 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.892 HD23 ' HA ' ' A' ' 75' ' ' ASP . 1.6 mm? -106.36 132.02 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.0 110.56 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 65' ' ' HIS . 39.3 tp -70.65 113.46 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -129.02 104.75 7.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -143.4 169.87 16.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.048 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.62 -33.31 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.91 -170.58 28.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 94' ' ' THR . 6.1 t -129.46 66.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.432 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 125.71 -174.42 17.61 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.425 1.078 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.9 p -155.46 -56.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.024 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 147.47 22.68 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.41 24.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.533 1.807 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.64 -65.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.17 137.78 38.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -172.34 73.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -71.26 139.2 49.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.84 154.55 16.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.41 82.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.011 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 p -133.43 143.15 48.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.957 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.93 112.8 2.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.3 p 49.04 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t -123.82 115.59 21.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.971 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.557 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -166.69 147.42 6.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.84 -66.77 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.539 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 45.1 p 176.88 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.34 -71.42 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.376 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.858 HG21 ' CE ' ' A' ' 42' ' ' MET . 3.7 p -112.35 -50.68 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.88 -57.39 0.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 1.3 m-70 -75.83 120.7 21.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.8 m -143.01 165.14 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 108.288 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 t -141.45 119.49 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -89.23 148.95 23.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 23' ' ' LEU . 34.9 mtp -128.36 137.25 51.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 20' ' ' MET . 17.5 mtt180 -147.77 144.34 28.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.66 58.24 6.56 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -98.68 158.19 32.92 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 139.38 24.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.789 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.88 -16.79 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 5.2 mmm180 -111.82 46.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.896 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -130.42 113.48 14.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -110.77 170.12 8.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 2.8 mt-10 -42.16 -58.24 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -41.41 -40.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.32 -47.39 56.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG23 ' HE1' ' A' ' 20' ' ' MET . 16.6 mt -64.4 -14.69 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 m-85 -85.14 -38.52 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -92.53 -8.7 43.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 79' ' ' MET . 30.9 t80 -83.37 -10.71 58.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.637 ' HE1' HD13 ' A' ' 86' ' ' LEU . 2.4 m-85 -117.73 -7.07 11.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.682 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -66.58 156.94 84.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.02 117.43 4.66 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.008 -0.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 70' ' ' ALA . 7.6 mt -167.04 172.33 10.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -138.48 93.77 11.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.858 ' CE ' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -39.76 -42.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -171.97 144.97 1.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 110.257 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 96.3 t -116.79 111.82 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.38 131.69 34.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.615 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.479 HD11 HD12 ' A' ' 32' ' ' ILE . 1.6 mm -114.38 109.46 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.47 123.97 23.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.542 HG23 ' O ' ' A' ' 53' ' ' ARG . 42.6 mm -99.71 139.09 22.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.16 -91.01 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -167.68 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -176.51 -55.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.542 ' O ' HG23 ' A' ' 48' ' ' ILE . 7.5 mtt-85 -63.01 165.52 6.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.44 167.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -104.23 -35.12 8.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . . . 127.75 -34.52 2.98 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 20' ' ' MET . 5.9 mp0 -78.39 151.75 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.769 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.44 143.52 25.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.59 139.84 47.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG21 ' HE2' ' A' ' 36' ' ' PHE . 21.3 t -128.77 157.88 41.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -137.59 142.34 41.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.312 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 71' ' ' ALA . 55.0 m-85 -133.21 143.36 49.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.55 -54.54 30.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 p -101.03 -172.8 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.675 ' HE1' HD11 ' A' ' 88' ' ' LEU . 37.3 t60 -89.24 -43.14 11.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 3.0 mm-40 -48.66 -50.44 33.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.3 OUTLIER -59.19 -19.55 46.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -85.78 -62.64 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 65' ' ' HIS . 98.0 t -59.09 -32.37 47.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.694 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -64.22 -43.81 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . . . -53.67 -24.1 13.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 88' ' ' LEU . 58.0 mmm -74.67 -0.53 18.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.0 -14.37 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.697 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -115.23 2.88 14.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HA ' HD12 ' A' ' 86' ' ' LEU . 4.0 p-10 -43.89 136.54 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 77' ' ' ALA . 2.2 mttp 73.74 -53.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -31.48 123.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 5.3 p-10 -72.59 108.75 5.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.544 ' HG3' ' CD1' ' A' ' 35' ' ' PHE . 35.7 ttm -50.59 -33.75 23.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -134.09 -76.43 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.467 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 31.5 p-80 -144.81 15.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.58 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' NE ' ' NE2' ' A' ' 81' ' ' HIS . 1.5 mmt85 -133.74 137.69 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -79.77 103.39 9.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.85 139.72 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -90.95 129.8 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 75' ' ' ASP . 71.5 mt -117.93 123.6 46.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 85' ' ' GLU . 30.6 m-85 -112.61 111.67 22.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 68' ' ' ALA . 1.5 tm? -79.03 105.22 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -115.79 105.62 12.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.446 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 39.8 t -142.91 169.33 17.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.35 -35.77 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.406 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 52.76 175.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.95 155.73 9.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.2 t -159.55 165.62 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 110.389 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.7 p -117.76 115.16 24.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -154.05 107.16 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.8 p -154.51 108.59 2.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.99 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -143.43 -81.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 148.82 35.67 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 63.3 p -136.74 -58.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.953 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.46 106.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -123.03 -58.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.035 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 p -121.43 114.47 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.2 152.7 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.097 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.04 85.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 0.717 . . . . 0.0 110.038 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -50.48 159.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.6 102.56 2.91 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.435 1.085 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -154.28 98.89 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.791 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.9 t -70.91 114.98 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -81.44 156.23 25.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -143.07 144.78 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -95.62 103.94 15.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.7 p -114.74 160.74 19.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 p 52.62 102.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.75 -27.43 1.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -81.73 113.74 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.3 m -143.05 163.76 31.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.317 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.1 t -130.34 117.52 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -84.64 134.18 34.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.605 ' SD ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -115.81 139.26 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -148.49 146.05 28.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.03 57.01 7.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.3 OUTLIER -96.07 157.78 35.18 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.2 Cg_endo -75.04 150.43 37.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -65.53 -9.58 27.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -120.19 42.96 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.707 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -110.21 133.24 53.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.3 t -131.23 156.79 44.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -41.24 -48.88 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -49.51 -46.07 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 28' ' ' THR . 62.9 m-20 -66.02 -43.43 87.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 46' ' ' ILE . 88.8 mt -61.66 -36.71 75.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 3.5 m-85 -64.03 -39.05 93.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -82.62 -34.07 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 47.4 t80 -64.05 -15.53 59.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.92 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.8 m-85 -110.7 -12.03 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.67 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -68.24 155.84 91.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 118.21 5.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.958 0.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' N ' ' HA ' ' A' ' 37' ' ' SER . 11.2 mt -164.3 173.6 12.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -138.71 91.51 11.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.05 124.71 8.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.809 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.476 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 2.6 mmt -54.83 -39.95 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' MET . 60.1 mtt-85 -165.26 135.91 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.72 107.25 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -85.77 136.19 33.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.56 HD11 HD12 ' A' ' 32' ' ' ILE . 1.9 mm -112.38 104.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.28 123.68 18.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 52' ' ' GLY . 42.7 mm -110.69 152.05 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.23 -177.04 48.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 55.77 4.06 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -177.64 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 164.89 -35.4 0.27 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.9 mtt85 -53.22 147.83 9.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.313 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.84 158.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.6 p -98.98 -25.1 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.24 2.55 27.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 20' ' ' MET . 33.4 mt-10 -108.41 155.16 20.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.308 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.21 152.71 36.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.08 105.27 9.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 36' ' ' PHE . 44.1 t -92.74 148.24 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -121.31 122.76 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 20.7 m-85 -119.12 138.15 53.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.4 -56.53 15.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.8 p -100.5 -175.14 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.384 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 56.0 t60 -88.61 -32.23 18.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -50.18 73.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.6 OUTLIER -53.78 -19.43 4.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.775 ' HB1' ' CD1' ' A' ' 88' ' ' LEU . . . -86.58 -59.61 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.876 HG22 ' CD2' ' A' ' 88' ' ' LEU . 73.9 t -54.99 -31.56 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -65.04 -34.38 78.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -67.79 -42.53 81.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.437 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 23.5 mmt -45.19 -24.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 71' ' ' ALA . . . -60.58 -35.81 76.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.47 27.64 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 46.4 p-10 -78.09 146.22 35.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.3 mptt 70.41 -56.36 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.67 123.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 9.3 p-10 -69.29 99.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.7 ttm -36.42 -45.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HB3' ' ND1' ' A' ' 81' ' ' HIS . 3.8 mt-30 -127.71 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 80' ' ' GLN . 6.6 p-80 -140.77 13.96 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.59 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 2.3 mmt85 -133.52 134.83 43.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.76 107.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.547 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.8 t -87.81 151.37 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -112.32 123.47 50.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.605 HD21 ' SD ' ' A' ' 20' ' ' MET . 70.2 mt -112.9 131.76 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.43 110.48 13.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.876 ' CD2' HG22 ' A' ' 69' ' ' VAL . 37.8 tp -68.51 107.6 2.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -117.94 105.59 12.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.49 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -143.23 169.61 17.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.985 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.38 -28.77 13.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 51.86 177.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 94' ' ' THR . . . -119.01 106.43 1.27 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 93' ' ' GLY . 9.0 t 46.83 -162.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 0.737 . . . . 0.0 110.439 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.44 ' N ' ' OG1' ' A' ' 94' ' ' THR . 0.5 OUTLIER 164.79 167.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.69 122.68 1.13 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.42 1.075 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.7 t -156.25 156.61 34.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.55 91.67 0.11 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.547 1.155 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 178.31 7.45 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.791 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -59.25 5.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.8 p -134.94 126.6 28.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -50.53 121.73 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 86.86 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.039 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.95 -100.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.999 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -157.44 152.79 26.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 75.49 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.38 85.58 2.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -102.8 151.01 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -152.05 158.98 43.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.51 99.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -58.92 149.59 26.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.5 p -134.96 -46.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 p -127.57 -71.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.42 -39.01 0.55 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 5.5 m-70 -96.49 118.04 32.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.3 m -142.48 163.76 31.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 t -132.98 127.94 55.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 4.6 t60 -91.3 149.41 21.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.625 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.714 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 34.1 mtp -125.96 139.34 53.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 87' ' ' PHE . 15.3 mtp-105 -150.86 149.2 29.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.58 56.57 9.5 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -96.98 156.86 35.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.549 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -74.97 163.93 34.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.79 -37.93 89.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -94.56 44.05 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.549 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . . . -107.65 111.73 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' ASP . 55.2 p -121.43 165.39 15.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 33' ' ' TYR . 4.1 mt-10 -49.66 -28.81 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -67.44 -31.96 72.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' THR . 1.9 m-20 -81.19 -47.93 12.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD12 HD11 ' A' ' 46' ' ' ILE . 26.0 mt -58.46 -22.82 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 29' ' ' GLU . 1.3 m-85 -78.53 -40.55 34.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -82.78 -23.47 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 74' ' ' LYS . 36.4 t80 -68.32 -52.39 34.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 9.0 m-85 -74.19 -16.53 60.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.686 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -65.08 155.39 84.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 18.5 Cg_endo -74.93 118.1 5.07 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.026 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.821 HD11 ' CB ' ' A' ' 70' ' ' ALA . 7.4 mt -167.19 176.92 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.66 94.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -47.72 -43.6 27.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 42' ' ' MET . 42.2 mtt180 -164.96 137.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 21.7 t -113.79 113.38 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.78 137.53 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 HG22 HD11 ' A' ' 48' ' ' ILE . 4.8 mm -115.75 124.57 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.61 ' O ' HD13 ' A' ' 48' ' ' ILE . 26.8 tt0 -95.61 135.67 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.61 HD13 ' O ' ' A' ' 47' ' ' GLU . 4.5 mm -135.62 125.55 42.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.13 -86.28 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 18.2 Cg_endo -75.02 3.32 5.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 1.0 OUTLIER 81.44 27.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' N ' ' CG2' ' A' ' 48' ' ' ILE . . . -140.63 -44.51 0.06 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 141.95 43.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 m -72.29 153.27 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 47' ' ' GLU . 4.3 p -87.17 -26.84 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 111.69 4.08 26.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.422 ' OE1' ' NE2' ' A' ' 19' ' ' HIS . 11.5 mt-10 -116.41 154.12 30.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -155.87 149.2 24.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.69 132.03 55.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.672 HG21 ' CE2' ' A' ' 36' ' ' PHE . 1.5 t -120.3 155.49 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' MET . 2.5 tm-20 -139.5 144.11 37.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 61.4 m-85 -139.57 135.59 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.67 -57.09 9.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.3 p -100.54 -179.07 3.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.769 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 37.1 t60 -83.94 -43.04 15.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.71 -60.17 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -48.66 -24.85 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -75.75 -64.02 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG22 ' CD2' ' A' ' 88' ' ' LEU . 58.7 t -52.3 -35.03 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.821 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -57.91 -47.15 83.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.841 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -70.94 -27.14 63.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.472 ' HG3' HD13 ' A' ' 88' ' ' LEU . 60.6 mmm -71.56 -3.6 22.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.86 -15.59 58.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 35' ' ' PHE . 1.5 mmmt -93.81 9.42 37.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 41.0 p-10 -54.68 133.57 46.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' O ' ' C ' ' A' ' 77' ' ' ALA . 16.2 mttt 72.97 -51.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -28.51 126.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.8 p-10 -66.51 96.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.525 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 2.9 ttm -41.92 -62.22 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -119.44 -73.39 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CD2' ' NE ' ' A' ' 82' ' ' ARG . 30.3 p-80 -136.25 10.62 3.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' NE ' ' CD2' ' A' ' 81' ' ' HIS . 24.0 mmt180 -135.82 153.41 51.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -82.82 106.46 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.573 HG13 ' HG ' ' A' ' 23' ' ' LEU . 12.8 t -87.93 154.96 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.89 148.99 33.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 20' ' ' MET . 81.9 mt -138.36 129.24 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 21' ' ' ARG . 32.6 m-85 -115.92 110.69 19.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.69 HD11 ' CE1' ' A' ' 65' ' ' HIS . 11.4 tp -65.18 114.65 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -130.0 103.52 6.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.1 OUTLIER -144.09 169.86 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.22 -30.88 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.7 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.83 -69.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 94' ' ' THR . 1.7 t -115.55 112.2 21.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -85.81 -60.01 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 168.6 -178.83 41.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.5 p -154.83 156.96 37.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.88 -170.52 20.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.8 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.0 m 60.34 106.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.9 t -75.01 125.43 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -118.63 137.37 53.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.7 m -69.48 124.12 23.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.71 -166.1 3.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 p -146.66 167.22 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -178.74 97.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.12 64.6 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.8 p -99.3 112.19 24.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.758 . . . . 0.0 109.992 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.2 p -121.11 109.88 15.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.0 138.93 37.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -141.14 110.12 6.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.8 p -45.62 144.87 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.757 ' C ' HG23 ' A' ' 14' ' ' THR . 35.0 p -125.83 163.95 21.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.757 HG23 ' C ' ' A' ' 13' ' ' THR . 1.0 OUTLIER 68.13 -57.82 0.47 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.145 . . . . 0.0 110.361 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 138.14 -51.92 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.604 ' CD2' ' C ' ' A' ' 64' ' ' THR . 1.6 m-70 -78.16 135.86 37.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ASN . 39.8 m -143.27 168.93 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 108.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG21 ' HE2' ' A' ' 62' ' ' PHE . 2.8 t -148.69 110.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -88.8 140.9 28.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.872 ' HE3' ' CZ ' ' A' ' 36' ' ' PHE . 38.1 mtp -120.15 145.51 46.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HG3' ' CE1' ' A' ' 87' ' ' PHE . 7.5 mtt180 -144.5 149.65 36.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.21 57.92 10.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -97.12 157.48 34.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.936 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 155.88 42.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -62.36 -49.11 76.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -85.7 47.89 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.936 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -122.22 107.74 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 t -103.67 169.45 8.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.378 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HA ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -49.1 -54.88 14.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.77 -46.19 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -41.56 92.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 29' ' ' GLU . 23.2 mt -65.77 -32.87 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 6.5 m-85 -67.77 -40.08 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -84.19 -33.66 24.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.511 ' CG ' ' HG3' ' A' ' 79' ' ' MET . 34.4 t80 -59.19 -14.69 11.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.872 ' CZ ' ' HE3' ' A' ' 20' ' ' MET . 9.4 m-85 -108.51 -13.98 14.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.652 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.36 147.85 81.13 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.93 120.35 6.57 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.022 -2.491 . . . . 0.0 111.058 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.652 ' N ' ' HA ' ' A' ' 37' ' ' SER . 6.9 mt -168.18 169.32 11.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -138.3 92.07 12.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -74.99 125.8 9.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -54.58 -42.12 70.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -165.07 141.05 5.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG2' ' CE2' ' A' ' 33' ' ' TYR . 3.5 t -111.24 108.67 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -92.37 119.8 32.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.545 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 32' ' ' ILE . 2.0 mm -103.48 116.63 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.56 120.37 17.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 52' ' ' GLY . 47.3 mm -102.37 130.86 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -64.35 -90.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -70.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -169.44 36.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 48' ' ' ILE . . . -178.11 -59.91 0.07 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 mtt85 -59.95 156.29 14.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.3 m -96.59 170.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p -108.78 -29.8 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.687 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.63 -22.8 7.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 20' ' ' MET . 21.0 mp0 -90.04 153.65 20.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.764 ' HB3' ' HB2' ' A' ' 20' ' ' MET . . . -149.11 142.42 25.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.52 134.53 52.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' VAL . 2.1 t -126.97 156.27 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 42' ' ' MET . 0.5 OUTLIER -139.32 142.59 37.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 46.9 m-85 -128.65 161.57 29.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.16 -43.76 23.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.604 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 71.9 p -112.28 -174.9 2.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 36.2 t60 -88.38 -42.61 12.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.642 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -42.22 57.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -61.57 -16.21 45.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -86.14 -55.45 3.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' MET . 85.2 t -60.12 -43.72 93.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -46.2 -25.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 68' ' ' ALA . . . -75.71 -42.48 50.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' VAL . 18.1 mmt -46.05 -23.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.04 -31.4 71.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.57 ' O ' HD12 ' A' ' 86' ' ' LEU . 1.2 mmmt -106.97 41.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -84.39 127.79 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt 68.32 10.18 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.2 166.25 14.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -102.29 96.81 7.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.511 ' HG3' ' CG ' ' A' ' 35' ' ' PHE . 14.5 ttm -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -133.08 -75.36 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -146.92 17.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -133.53 172.61 12.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -113.4 105.97 14.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.85 140.03 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.36 119.7 31.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 74' ' ' LYS . 18.5 mt -93.36 134.55 35.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 21' ' ' ARG . 74.7 m-85 -121.01 111.82 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -78.75 93.44 4.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' CYS . 23.3 m-20 -116.84 104.53 11.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 16' ' ' HIS . 1.9 t -143.11 169.66 17.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.3 m -89.26 -59.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 63.71 -175.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.81 56.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 p -84.86 112.81 20.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.8 m -167.87 153.33 7.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 119.07 -136.63 12.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.2 m 72.6 -61.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.78 102.72 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 72.62 4.62 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.05 139.18 12.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -100.88 -65.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.7 m -147.9 126.66 12.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 110.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 -87.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.55 -115.59 0.65 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -139.23 103.59 4.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 0.0 110.016 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.29 135.03 34.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.79 -136.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -161.49 -59.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.09 168.26 8.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 11' ' ' GLN . 20.4 t80 -63.97 159.13 20.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.566 1.166 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 2.1 mt-30 -137.27 136.37 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 13' ' ' THR . 7.7 t -127.65 178.9 5.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.57 HG22 HG22 ' A' ' 14' ' ' THR . 0.5 OUTLIER 168.48 -31.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.417 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 HG22 ' A' ' 13' ' ' THR . 2.5 p -112.54 -45.8 3.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 110.445 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.04 -46.75 1.06 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.78 116.61 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 0.803 . . . . 0.0 109.572 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 m -142.33 168.38 19.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.39 117.73 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -84.81 148.99 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.622 ' HB3' HD11 ' A' ' 23' ' ' LEU . 13.6 mtp -122.91 140.81 52.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -150.21 144.15 25.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.63 44.89 11.65 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 ' HG ' HG13 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -88.33 151.15 48.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.583 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -72.94 -39.53 66.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.16 42.04 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -113.04 127.15 56.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -133.52 176.06 8.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.4 mt-10 -56.93 -60.01 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -41.91 -36.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' PHE . 56.8 m-20 -76.84 -53.09 8.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.565 HD12 HD11 ' A' ' 46' ' ' ILE . 33.1 mt -50.43 -28.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -71.29 -48.64 49.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -79.18 -9.32 59.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.478 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 23.6 t80 -83.19 -16.14 47.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.757 ' CD1' ' HB1' ' A' ' 71' ' ' ALA . 1.4 m-85 -117.94 -3.1 11.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.68 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -67.52 157.98 84.02 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.01 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.01 117.12 4.46 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.999 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 70' ' ' ALA . 6.5 mt -167.57 168.84 12.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -138.26 93.42 11.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.98 119.97 5.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.483 1.78 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.4 mmm -37.31 -47.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -157.01 152.13 26.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 110.348 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 77.5 t -131.12 100.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -84.23 136.28 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.565 HD11 HD12 ' A' ' 32' ' ' ILE . 8.7 mm -108.14 102.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 55' ' ' THR . 2.8 tt0 -62.02 126.29 26.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 53' ' ' ARG . 34.0 mm -103.2 138.07 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.57 -89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' CD ' ' HB2' ' A' ' 53' ' ' ARG . 18.2 Cg_endo -75.06 -86.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.44 37.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.73 -50.51 0.15 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 48' ' ' ILE . 34.0 mtm180 -65.18 152.42 43.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.76 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.6 m -90.3 166.14 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -113.1 -20.62 11.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.46 14.2 26.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 20' ' ' MET . 15.7 mt-10 -116.9 154.02 31.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -157.42 148.36 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -114.35 122.08 45.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG21 ' HE2' ' A' ' 36' ' ' PHE . 5.7 t -108.68 151.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 42' ' ' MET . 1.5 tm-20 -135.63 145.06 46.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 51.1 m-85 -135.02 156.99 48.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.89 -40.22 69.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.8 p -122.28 179.42 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.733 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 38.3 t60 -78.97 -42.32 27.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -48.08 -56.77 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.537 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -51.16 -22.59 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -78.21 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.554 HG22 ' CD2' ' A' ' 88' ' ' LEU . 71.9 t -56.07 -37.07 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.916 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -55.22 -52.05 64.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 36' ' ' PHE . . . -59.22 -42.65 91.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.8 mmm -61.67 -10.36 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 70' ' ' ALA . . . -54.13 -19.12 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -110.37 22.49 15.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.932 ' HA ' HD23 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -49.47 95.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.1 mttp 89.99 52.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -117.43 139.77 50.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.95 96.92 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.767 ' HB2' HG21 ' A' ' 84' ' ' VAL . 5.0 ttm -59.0 -45.25 91.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -138.68 -73.15 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -137.78 10.56 2.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.607 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 7.8 mmt85 -136.79 164.14 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -92.98 112.18 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.767 HG21 ' HB2' ' A' ' 79' ' ' MET . 2.2 t -87.46 145.41 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' C ' HD13 ' A' ' 86' ' ' LEU . 2.8 mt-10 -110.95 128.19 55.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.932 HD23 ' HA ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -113.22 131.65 55.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -118.3 110.85 18.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.562 HD11 ' CE1' ' A' ' 65' ' ' HIS . 27.1 tp -70.36 116.91 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -132.3 104.44 6.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.557 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -143.6 169.65 17.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.062 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.56 -28.64 12.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.438 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 54.26 171.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.08 -86.22 1.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 94' ' ' THR . 3.7 t -152.89 65.9 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.36 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -79.9 158.78 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.22 14.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.24 167.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 110.001 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.03 156.47 21.98 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.133 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 171.53 18.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -171.85 119.33 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.93 -62.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.062 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.05 -58.17 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -117.16 113.56 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.15 -171.87 26.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 72.77 -65.99 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.01 84.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.52 112.51 0.52 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.77 161.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 12' ' ' SER . 4.6 t80 -44.27 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -150.89 -59.86 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 34.0 t 64.89 129.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.3 p -120.68 -56.99 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.407 ' OG1' ' N ' ' A' ' 15' ' ' GLY . 77.6 p -129.08 -76.78 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' OG1' ' A' ' 14' ' ' THR . . . 161.95 -47.49 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB2' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -83.22 130.37 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 109.629 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' SG ' ' CD ' ' A' ' 61' ' ' GLU . 1.3 m -143.74 171.63 13.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 87' ' ' PHE . 4.1 t -148.09 111.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' NE2' ' OE1' ' A' ' 57' ' ' GLU . 3.9 t60 -84.93 147.35 26.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 11.3 mtp -122.2 140.41 52.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -148.49 146.62 28.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 57.52 10.03 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.168 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' HB3' ' A' ' 20' ' ' MET . 0.4 OUTLIER -95.84 159.62 31.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.774 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.01 147.92 34.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.026 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -59.24 -19.98 50.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.6 mmt-85 -112.25 46.63 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.774 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -114.52 120.78 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' ASP . 1.5 t -120.76 155.18 34.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 7.3 mt-10 -40.57 -56.75 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -41.69 -40.01 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' THR . 20.0 m-20 -71.98 -50.21 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 36' ' ' PHE . 92.6 mt -51.73 -32.42 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.537 ' CE1' ' HG2' ' A' ' 41' ' ' PRO . 4.7 m-85 -68.67 -43.01 77.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 79' ' ' MET . 34.1 t80 -59.07 -45.5 90.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.974 ' CE2' HG21 ' A' ' 60' ' ' VAL . 10.0 m-85 -76.26 -16.75 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.676 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.99 154.13 90.17 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.973 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.99 118.35 5.24 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.998 -0.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' ' HA ' ' A' ' 37' ' ' SER . 10.0 mt -164.93 176.68 8.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -138.92 92.12 11.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 33' ' ' TYR . 18.2 Cg_endo -75.06 125.74 9.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.499 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 20.0 mmm -55.6 -43.58 76.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 111.044 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 42' ' ' MET . 5.8 mtt180 -165.37 135.59 3.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 23.8 t -116.29 144.99 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -127.44 150.39 49.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HD11 HD12 ' A' ' 32' ' ' ILE . 2.9 mm -122.48 106.22 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -70.21 130.47 42.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 53' ' ' ARG . 18.6 mm -122.59 140.16 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -58.47 -98.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.574 1.171 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -57.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.558 1.82 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.3 p30 172.5 40.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.95 -70.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' ILE . 25.1 mtt85 -68.84 142.53 54.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.614 ' HA ' HD13 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -92.01 148.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.8 p -82.36 -28.41 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 107.22 11.17 26.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 13.6 mt-10 -107.12 156.84 18.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -156.85 146.46 20.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.13 115.85 25.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.974 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.5 t -106.08 157.97 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' CD ' ' SG ' ' A' ' 17' ' ' CYS . 2.4 tp10 -135.94 137.72 41.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 67' ' ' ASP . 40.9 m-85 -130.44 141.71 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -66.07 -54.56 24.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.9 p -96.53 -177.26 3.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.686 ' HE1' HD11 ' A' ' 88' ' ' LEU . 42.7 t60 -88.49 -42.44 12.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.596 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -49.56 -45.92 48.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -58.39 -21.3 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -90.41 -57.54 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' A' ' 72' ' ' MET . 51.7 t -59.39 -17.81 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 39' ' ' LEU . . . -77.37 -28.87 53.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 36' ' ' PHE . . . -75.48 -17.06 60.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.506 ' CG ' ' HB2' ' A' ' 88' ' ' LEU . 21.4 mmt -68.98 -4.92 18.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.2 -32.6 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -91.09 11.02 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 55.1 p-10 -67.3 143.6 56.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 77' ' ' ALA . 14.5 mttt 70.24 -56.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 76' ' ' LYS . . . -31.96 124.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 11.9 p-10 -66.44 99.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.518 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 6.8 ttm -39.17 -33.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -142.87 -75.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.295 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' NE ' ' A' ' 82' ' ' ARG . 12.4 p-80 -139.42 11.78 2.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -134.05 134.24 42.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -67.06 105.67 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.561 HG13 ' HG ' ' A' ' 23' ' ' LEU . 18.9 t -88.03 157.36 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' O ' HD23 ' A' ' 86' ' ' LEU . 1.2 mm-40 -117.1 131.46 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 85' ' ' GLU . 47.4 mt -118.61 126.6 52.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 96.7 m-85 -112.35 110.29 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 HD11 ' HE1' ' A' ' 65' ' ' HIS . 1.6 tm? -75.84 92.58 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -106.17 104.39 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.415 ' OG ' ' CE1' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -143.06 169.48 17.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.82 -29.55 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 53.51 172.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -104.99 -115.85 4.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.4 t -151.71 143.74 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.399 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.6 p -170.63 138.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -103.79 140.1 14.78 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t -66.52 160.93 24.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.54 -141.28 4.48 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.87 18.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.502 1.791 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 t -111.62 162.26 15.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -55.86 3.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 p -135.48 87.1 2.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -137.69 136.02 37.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 131.74 1.48 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.28 108.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.21 125.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.58 110.37 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.2 p -165.17 109.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.22 156.07 2.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.934 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.43 -50.48 69.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 61.84 135.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.1 p -144.02 149.08 36.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.042 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -129.95 -50.95 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.2 p -101.39 -59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.401 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.42 -42.66 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 63' ' ' ALA . 2.0 m-70 -75.59 111.17 10.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.555 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 m -143.09 167.73 21.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.8 t -140.89 121.13 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.428 ' NE2' ' CD ' ' A' ' 57' ' ' GLU . 21.9 t60 -84.99 151.0 24.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.565 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.628 ' SD ' ' HB3' ' A' ' 58' ' ' ALA . 17.7 mtp -125.62 152.04 45.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.05 159.57 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.14 60.49 8.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -100.56 149.72 36.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 18.5 Cg_endo -74.97 153.13 41.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -61.6 -20.62 63.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -103.21 37.05 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.544 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -117.12 121.97 42.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 48.3 p -125.78 -179.63 4.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HG2' ' CG1' ' A' ' 44' ' ' VAL . 4.5 mt-10 -61.93 -37.86 86.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.68 -21.99 64.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -91.16 -46.42 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.532 HD12 HD11 ' A' ' 46' ' ' ILE . 35.4 mt -59.08 -21.75 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 41' ' ' PRO . 2.5 m-85 -77.06 -40.87 44.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -85.58 -14.74 44.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.674 ' HE1' HD11 ' A' ' 86' ' ' LEU . 61.7 t80 -72.34 -24.8 61.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 60' ' ' VAL . 16.8 m-85 -102.58 -17.34 15.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.62 ' HA ' ' N ' ' A' ' 39' ' ' LEU . 1.2 t -55.64 143.47 58.76 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.02 122.49 8.25 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.966 -2.514 . . . . 0.0 111.017 -0.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 ' N ' ' HA ' ' A' ' 37' ' ' SER . 3.9 mt -172.5 169.52 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -138.78 93.89 10.52 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 33' ' ' TYR . 18.3 Cg_endo -75.0 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.46 1.769 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -47.88 -34.97 9.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -175.39 149.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 29' ' ' GLU . 74.6 t -124.27 121.74 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -99.55 126.68 45.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 32' ' ' ILE . 2.6 mm -108.17 99.93 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 120.07 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 52' ' ' GLY . 46.0 mm -106.12 145.17 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.68 -179.15 52.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.156 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 75.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 168.05 -48.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.479 ' O ' HG23 ' A' ' 48' ' ' ILE . . . 149.63 -30.16 1.15 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -58.61 148.9 27.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 m -69.38 175.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 22.3 p -114.74 -30.28 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.441 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.855 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 115.32 -15.82 17.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 19' ' ' HIS . 8.6 mt-10 -96.46 158.88 15.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.628 ' HB3' ' SD ' ' A' ' 20' ' ' MET . . . -159.02 143.47 15.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -108.56 134.66 51.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.677 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.2 t -123.01 149.17 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 42' ' ' MET . 3.3 tp10 -131.66 140.87 49.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 71' ' ' ALA . 69.7 m-85 -137.37 145.26 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . -60.11 -53.43 57.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.8 p -100.98 -177.06 3.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.694 ' CE1' HD11 ' A' ' 88' ' ' LEU . 33.6 t60 -89.4 -42.4 11.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.525 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -50.68 -51.67 47.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.5 ' OD1' HD22 ' A' ' 39' ' ' LEU . 5.6 m-20 -58.41 -16.43 14.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 65' ' ' HIS . . . -88.95 -41.16 12.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.726 HG22 ' CD2' ' A' ' 88' ' ' LEU . 37.4 t -66.57 -49.47 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' ' HB3' ' A' ' 73' ' ' ALA . . . -60.4 -35.19 75.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 62' ' ' PHE . . . -64.88 -53.17 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.682 ' HA ' HD13 ' A' ' 86' ' ' LEU . 2.3 ppp? -78.79 -0.77 31.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 70' ' ' ALA . . . -65.11 -11.79 43.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.543 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -99.19 42.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -72.86 142.53 47.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HA ' ' CD1' ' A' ' 83' ' ' TYR . 5.5 mttm 68.91 23.02 6.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 74' ' ' LYS . . . -105.09 135.44 46.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 82' ' ' ARG . 6.5 p30 -88.9 127.11 35.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.5 tpp -65.73 -34.72 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -142.04 -52.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' O ' ' HD3' ' A' ' 82' ' ' ARG . 50.0 p-80 -161.54 23.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' ASN . 1.3 mmt85 -142.26 113.37 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.672 ' CD1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -49.52 113.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.769 HG13 ' HG ' ' A' ' 23' ' ' LEU . 3.1 t -89.15 153.83 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.764 ' O ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -108.43 150.54 27.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.265 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 85' ' ' GLU . 52.6 mt -142.52 119.46 11.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -112.24 111.43 22.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.726 ' CD2' HG22 ' A' ' 69' ' ' VAL . 16.6 tp -64.2 117.2 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -131.99 104.05 6.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -143.6 169.78 17.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.048 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.51 -24.45 13.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.14 -132.17 3.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 t -132.54 125.42 30.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.59 -61.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 143.67 -159.84 27.62 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 75.2 p -172.74 164.86 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.048 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.42 96.42 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 169.58 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.41 110.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -82.09 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.987 . . . . . . . . 0 0 . 1 stop_ save_